International journal of Nanoparticles and Nanotechnology (IJNN) is a multidisciplinary, peer reviewed journal which includes all the major fields in nanotechnology and Nano science. Nanoscience and nanotechnology brought up an unprecedented excitement in the scientific and engineering communities, especially the last decade. It is the engineering of functional systems at the molecular scale. This covers both current work and concepts that are more advanced.  International journal of Nanoparticles and Nanotechnology   publishes original research papers during a broad area of nanoscience & engineering. IJNN provides an ideal forum for presenting original reports of theoretical and experimental nanoscience and nanotechnology research. Nanotechnology is a gathering of rising innovations in which the structure of matter is controlled at the nanometer scale, the size of little quantities of molecules, to create novel materials and gadgets that have valuable and one of kind properties. IJNN is naturally multidisciplinary, and welcomes submissions across biological, physical, engineering, and computer sciences. Contributions from both academia and industry are equally encouraged. IJNN also publishes innovative techniques and instrumentation for the fabrication, characterization and testing of nano-enabled devices and technologies, as well as advanced modelling and simulation methods.


committee

Members

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Francisco Torrens

lecturer

Francisco Torrens is lecturer in physical chemistry at the Universitat de València. After obtaining a PhD in molecular associations in azines and macrocycles from the Universitat de València, Dr. Torrens undertook postdoctoral research with Professor Rivail at the Université de Nancy I. More recently, Dr. Torrens has collaborated on projects with Professors Tomás-Vert, Salgado and Castellano. Major research projects include characterization of the electronic structure of electrically conductive organic materials, theoretical study of new electrically conductive organic materials, protein modelling, electronic correlation, development and applications of high-precision mono and multi‑referential electronic correlation methods, development and application of high-precision quantum methods, methodological developments and applications of quantum methods, molecular modelling and chemistry-computer applications for the description and prediction of molecular properties, development and integration of a computational system for the discovery of active drugs against AIDS, cancer pandemics and other microbial diseases of high social impact, starting an electronic journal of scientific-technological and gender spreading, computational design, chemical obtaining and biological evaluation of new antiprotozoal and anticancer drugs, prediction of the environmental impact of chemical substances using chemobioinformatics tools, discovery of new inhibitors of tyrosinase: computational design, synthesis, characterization and experimental corroboration, search for new antimicrobial agents that inhibit the synthesis of the bacterial cell wall, minimal active domains of proteins of the Bcl‑2 family, development and application of quantum chemistry methods and techniques to studies of drugs, analysis of pores of BAX at nanometric scale and study of the in vivo  antioxidant capacity of phenolic compounds through QSAR/QSPR modelling: crossing of the blood-brain barrier and interactions with cytochromes and drugs. His scientific accomplishments include the first implementation in a computer at the Universitat de València of a program for the elucidation of crystallographic structures and the construction of the first computational-chemistry program adapted to a vector-facility supercomputer in a Spanish university.

BSc, Universitat de València, 1984, MSc, 1987, PhD, 1990, PhD talent prize, 1991, PhD grant, 1987‑91, 91 congress organizations, editor-in-chief of Meeting in Science, Technology, Education and Gender  and Advanced Science and Technology, editor of Molecules, MATCH Communications in Mathematical and in Computer Chemistry, Research Journal of BioTechnology, Research & Reviews in BioSciences, Asian Journal of Biochemistry, Asian Journal of Scientific Research, Biotechnology, International Journal of Biological Chemistry, Current Drug Discovery Technologies, Journal of  WSCG, African Journal of Biochemistry Research, Molecular Diversity, African Journal of Pure and Applied Chemistry, African Journal of Pharmacy and Pharmacology, International Journal of Liquid State Sciences, International Journal on Analytical Proteomics, Research in Pharmaceutical Biotechnology, IETE Technical Review, Der Pharma Chemica, Journal of Nanoscience and Nanotechnology, Journal of Electromagnetic Analysis and Applications, Journal of Integrated OMICS, Nereis. Journal of Life Sciences, International Journal of Biochemistry Research & Review, International Journal of Chemoinformatics and Chemical Engineering, Journal of Animal & Veterinary Advance Research, Consumer Electronics Times, Advances in Nano Research, International Journal of Research in Biosciences, Universal Journal of Microbiology and Biochemistry, Journal of Scientific Research and Reports, Journal of Materials Science and Engineering (A & B), International Journal of Sensor and Related Networks, Universal Journal of Chemistry, Science Road Journal, Advances in Research, Journal of Nanomaterials and Molecular Nanotechnology, Austin Journal of Nanomedicine & Nanotechnology, German Journal of Advanced Mathematical Sciences, Journal of Nanotechnology: Nanomedicine & Nanobiotechnology, Evolving Trends in Engineering & Technology, Journal of Biochemistry International, Journal of Basic and Applied Research International, Journal of Biochemistry and Molecular Biology Research, Advances in Water Science and Technology, New Frontiers in Chemistry, Analytical Chemistry Insights, Evolutionary Bioinformatics, SM Journal of Nanotechnology and Nanomedicine, Advances in Modern Oncology Research, Molecules & Medicinal Chemistry, Global Journal of Cancer Therapy, Global Journal of Ecology, International Journal of Nanomaterials, Nanotechnology and Nanomedicine, Open Journal of Engineering and Technology, Journal of Translational Proteomics Research, International Journal of Academic Studies, Journal of Nanoscience, Nanomedicine & Nanobiology, International Journal of Molecular Sciences, Polymers, Gavin Journal of Oncology Research and Therapy, Journal of Cellular & Molecular Oncology, Journal of Advances in Physics, Journal of Oral Health and Craniofacial Science, Jacobs Journal of Organic Chemistry, Jacobs Journal of Inorganic Chemistry, Nanoscience, Nanomedicine & Nanobiology, Osteology and Rheumatology – Open Journal, Journal of Applied and Theoretical Physics Research, International Journal of Nanotechnology & Nanomedicine, Molecules, Section  Theoretical Chemistry, Med One, International Journal of Research in Pharmacy and Biosciences, Public Health-Open Journal, Current Computer-Aided Drug Design, International Journal of Research Studies in Biosciences  and Theoretical Physics, 80 scientific societies (European Food Safety Authority, etc.), 26 research projects, 7 visitor-professor responsible, assistant professor U. V., 1990-95, chargé de recherche C.N.R.S., 1991, lecturer U. V., 1995-present, Head of the Research Group Molecular Modelling, Computer-Aided Drug Design and Development of the Research Unit Theoretical Chemistry of the Institut Universitari de Ciència Molecular, 2 books, 384 articles, 1693 presentations. Advisor of 4 Ph. D. and 1 M. Sc.

1. B. Sc., Universitat de València (1979‑84), Adv. José Sánchez-Marín, Tit. Implementación de la Energía de Dispersión en un Modelo Empírico para el Estudio de Asociaciones Moleculares, Trans. Implementation of the Dispersion Energy into an Empirical Model for the Study of Molecular Associations.

 

2. M. Sc., Universitat de València (1985‑87).

 

3. Ph. D., Universitat de València (1985‑90), Adv. José Sánchez-Marín, Tit. Asociaciones Moleculares en Azinas y Macrociclos. Aplicación del Potencial Intermoleclar de Fraga, Transl. Molecular Associations in Azines and Macrocycles. Application of the Intermolecular Potential of Fraga.

 

4. Ph. D. Talent Prize, Universitat de València (1991).

1. Doctoral research grant, Adv. Francisco Tomás, Tit. Estudio Teórico de Asociaciones Moleculares. Aplicación a Sistemas de Interés Biológico, Trans. Theoretical Study of Molecular Associations. Application to Systems of Biological Interest, Conselleria de Cultura,  Educació i Ciència de la Generalitat Valenciana, 1987‑91, 4 years.

 

2. Valoración Positiva, Trans. Positive Valoration, Comisión Nacional de la Actividad Investigadora, Ministerio de Educación y Ciencia, 1987-1993, 1994-1999, 2000-2005 and 2006-2011.

 

3. Concessió de Components per Mèrits Docents del Complement Específic, Trans. Concession of Components by Educational Excellence of the Specific Complement, Universitat de València, 1988-1992, 1993-1997, 1998-2002, 2003-2007 and 2008-2012.

 

4. Retribucions Addicionals per al Professorat Funcionari de la Universitat de València, Trans. Additional Payment for the Official Professorship of the Universitat de València, Comissió Valenciana d’Acreditació i Avaluació de la Qualitat del Sistema Universitari Valencià, 2004-present.

 

5. Evaluación Positiva como Profesor Ayudante Doctor, Profesor Contratado Doctor y Profesor de Universidad Privada, así como Informe Favorable para la Figura de Profesor Colaborador, Trans. Positive Evaluation as Doctor Assistant Professor, Doctor Contracted Professor and Professor of Private University, as well as Favourable Report for the Figure of Collaborator Professor, Comissió Valenciana d’Acreditació i Avaluació de la Qualitat del Sistema Universitari Valencià, 2007.

 

6. Professor of the Programa de Alto Rendimiento Académico, Trans. Programme of High Academic Peformance, Generalitat Valenciana–Universitat de València, 2010-present.

1. F. Torrens, J. Sánchez-Marín, E. Ortí and I. Nebot-Gil,

Incorporation of a dispersion energy term to Fraga's atom-atom pair intermolecular potential. Application to benzene, s‑tetrazine, and their mixed dimers,

J. Chem. Soc., Perkin Trans. 2, 943‑950 (1987).

 

2. P. Lahuerta, R. Martínez, F. Torrens, A. Cantarero and F. Sanz,

Orthometallation reactions in rhodium compounds containing orthohalloarylphosphines. Part 4. Crystal structures of RhCl2[(C6H4)P(Ph)2][P(o‑ClC6H4)(Ph)2],

J. Chem. Res. (S), 22‑23 (1988).

 

3. P. Lahuerta, R. Martínez, F. Torrens, A. Cantarero and F. Sanz,

Orthometallation reactions in rhodium compounds containing orthohalloarylphosphines. Part 4. Crystal structures of RhCl2[(C6H4)P(Ph)2][P(o‑ClC6H4)(Ph)2],

J. Chem. Res. (M), 261‑272 (1988).

 

4. F. Torrens, A. M. Sánchez de Merás and J. Sánchez-Marín,

The use of ab initio  net charges to improve Fraga's atom-atom pair potential for molecular association,

J. Mol. Struct. (THEOCHEM), 166, 135‑140 (1988).

 

5. F. Torrens, J. Sánchez-Marín and E. Sánchez-Pérez,

Didàctica empírica de la congelació de l'aigua, in: Actes del II Sympòsium sobre L'Ensenyament de les Ciències Naturals,  Ed. S. Riera,

Documents No. 11,

Eumo, Vic, 1989, pp. 595‑600.

 

6. F. Torrens, J. Sánchez-Marín and E. Sánchez-Pérez,

Estudi interdisciplinari de la congelació de l'aigua, in: Actes del II Sympòsium sobre L'Ensenyament de les Ciències Naturals,  Ed. S. Riera,

Documents No. 11,

Eumo, Vic, 1989, p. 669.

 

7. F. Torrens, E. Sánchez-Pérez and J. Sánchez-Marín,

Didáctica empírica de la forma molecular,

Enseñanza de las Ciencias, Número Extra (III Congreso)(1), 267‑268 (1989).

 

8. F. Torrens, R. Montañana and J. Sánchez-Marín,

Vectorizing pair-potential AMYR program for the study of molecular associations, in: High Performance Computing I, Eds. J.‑L. Delhaye and E. Gelenbe,

Elsevier, Amsterdam, 1989, pp. 299‑308.

 

9. F. Torrens, J. Sánchez-Marín and F. Tomás,

Intermolecular calculations on azine dimers,

J. Chem. Res. (S), 176‑177 (1990).

 

10. F. Torrens, J. Sánchez-Marín and F. Tomás,

Intermolecular calculations on azine dimers,

J. Chem. Res. (M), 1401‑1455 (1990).

 

11. F. Torrens, E. Ortí and J. Sánchez-Marín,

Structural and charge effects on the phthalocyanine dimer, in: Physical Chemistry Modelling of Molecular Structures and Properties XLIV, Ed. J.‑L. Rivail,

Stud. Phys. Theor. Chem. No. 71,

Elsevier, Amsterdam, 1990, pp. 221‑228.

 

12. A. M. J. Sánchez de Merás, F. Torrens and I. Nebot-Gil,

The use of polarized atomic orbitals in the initial guess in MCSCF calculations,

J. Mol. Struct. (THEOCHEM), 208, 1‑6 (1990).

 

13. F. Torrens,

Asociaciones Moleculares en Azinas y Macrociclos. Aplicación del Potencial Intermolecular de Fraga, Trans. Molecular Associations in Azines and Macrocycles. Application of Fraga’s Intermolecular Potential, Col.lecció Tesis Doctorals Microfitxa No. 755‑3,

Universitat de València, València, 1991, 291 pp.

 

14. F. Torrens, E. Ortí and J. Sánchez-Marín,

Electrically conductive phthalocyanine assemblies. Structural and non‑integer oxidation number considerations, in: Lower-Dimensional Systems and Molecular Electronics, Eds. R.M. Metzger, P. Day and G.C. Papavassiliou,

NATO-ASI Ser. B No. 248,

Plenum Press, New York, 1991, pp. 461‑466.

 

15. F. Torrens, E. Ortí and J. Sánchez-Marín,

Representación de propiedades moleculares en la didáctica de la Química, in: Colloquy University Pedagogy,

Horsori, Barcelone, 1991, pp. 375‑379.

 

16. F. Torrens, E. Ortí and J. Sánchez-Marín,

Pair potential calculation of molecular associations. A vectorized version,

Comput. Phys. Commun., 66, 341‑362 (1991).

 

17. F. Torrens, E. Ortí and J. Sánchez-Marín,

Calculation of geometrical descriptors and topological indices of molecules. A vectorized program, in: High Performance Computing II, Eds. M. Durand and F. El Dabaghy,

Elsevier, Amsterdam, 1991, pp. 549‑560.

 

18. F. Torrens, E. Ortí and J. Sánchez-Marín,

Improved AMYR program:   An algorithm for the theoretical simulation of molecular associations, including geometrical and topological characterization of the dimers,

J. Mol. Graphics, 9, 254‑256 (1991).

 

19. F. Torrens, E. Ortí and J. Sánchez-Marín,

Vectorized TOPO program for the theoretical simulation of molecular shape,

J. Chim. Phys. Phys.‑Chim. Biol., 88, 2435‑2441 (1991).

 

20. F. Torrens, E. Ortí and J. Sánchez-Marín,

Vectorized TOPO program for the theoretical simulation of molecular shape, in: Advances in Biomolecular Simulations, Eds. R. Lavery, J.‑L. Rivail and J. Smith,

AIP Conference Proceedings Series No. 239,

American Institute of Physics, New York, 1991, p. 118.

 

21. F. Torrens, C. Voisin and J.‑L. Rivail,

Electric polarization in a force field for the study of dipeptide models, in: Computing Methods in Applied Sciences and Engineering X, Ed. R. Glowinski,

Nova Science, New York, 1991, pp. 249‑258.

 

22. J. Rodríguez, J. Sánchez-Marín, F. Torrens and F. Ruette,

Molecular aggregation of polycyclic aromatic hydrocarbons. A theoretical modelling of coronene aggregation,

J. Mol. Struct. (THEOCHEM), 254, 429‑441 (1992).

 

23. F. Torrens, M. Ruiz-López, C. Cativiela,  J. I. García and J. A. Mayoral,

Conformational aspects of some asymmetric Diels–Alder reactions. A molecular mechanics + polarization study,

Tetrahedron, 48, 5209‑5218 (1992).

 

24. M. Rubio, F. Torrens and J. Sánchez-Marín,

Are most of the stationary points in a molecular association minima? An application of Fraga's potential to benzene-benzene,

J. Comput. Chem., 14, 647‑654 (1993).

 

25. F. Torrens, J. Sánchez-Marín and J.‑L. Rivail,

Interacting induced dipoles polarization in a force field for dipeptide models (glycine derivative),

An. Fís., 90, 197‑204 (1994).

 

26. F. Torrens, J. Sánchez-Marín and I. Nebot-Gil,

Torsional effects on the molecular polarizabilities of the benzothiazole (A)-benzobisthiazole (B) oligomer A‑B13‑A,

J. Mol. Graphics, 14, 245-259+277 (1996).

 

27. F. Torrens

Theoretical characterization of iron and manganese porphyrins for catalyzed saturated alkane hydroxylations,

J. Mol. Catal. A, 119, 393-403 (1997).

 

28. F. Torrens, J. Sánchez-Marín and I. Nebot-Gil,

POLAR: Program for interacting induced dipoles polarization in a force field, in: Electronic Scientific and Engineering Applications of the Macintosh I, Eds. D. Graham and B. Jezl,

MacSciTech, New York, 1997, 45 pp.

 

29. F. Torrens, J. Sánchez-Marín and I. Nebot-Gil,

Interacting induced dipoles polarization model for molecular polarizabilities. Application to benzothiazole (A)-benzobisthiazole (B) oligomers: A‑B13‑A,

J. Mol. Struct. (THEOCHEM), 426, 105-116 (1998).

 

30. F. Torrens, J. Sánchez-Marín and I. Nebot-Gil,

Fractals for hybrid orbitals in protein models, in: Information Technology Applications in Biomedicine, ed: S. Laxminarayan,

IEEE, Washington, 1998, 6 pp.

 

31. F. Torrens, M. Rubio and J. Sánchez-Marín,

AMYR 2: A new version of a computer program for pair potential calculation of molecular associations,

Comput. Phys. Commun., 115, 87-89 (1998).

 

32. F. Torrens, J. Sánchez-Marín and I. Nebot-Gil,

Universal model for the calculation of all organic solvent–water partition coefficients,

J. Chromatogr., A, 827, 345-358 (1998).

 

33. F. Torrens, J. Sánchez-Marín and I. Nebot-Gil,

Characterizing cavities in model inclusion molecules: A comparative study,

J. Mol. Graphics Model., 16, 57-71 (1998).

 

34. F. Torrens, J. Sánchez-Marín and I. Nebot-Gil,

Interacting induced dipoles polarization model for molecular polarizabilities. Reference molecules, amino acids and model peptides,

J. Mol. Struct. (THEOCHEM), 463, 27-39 (1999).

 

35. F. Torrens, J. Sánchez-Marín and I. Nebot-Gil,

Polarization by the effect of a small torsional change in the benzothiazole (A)-benzobisthiazole (B) oligomer A‑B13‑A,

Molecules, 4, 28-51 (1999).

 

36. F. Torrens,

Aqueous coefficient calculations for chemicals and drugs,

Toxicol. Environ. Chem., 73, 177-189 (1999).

 

37. F. Torrens, J. Sánchez-Marín and I. Nebot-Gil,

Polarization by the effect of a small torsional change in the benzothiazole (A)-benzobisthiazole (B) oligomer A‑B13‑A, in: Synthetic Organic Chemistry II, Eds. S.-K. Lin and E. Pombo-Villar,

MDPI, Basel, 1999, pp. 1-9.

 

38. F. Torrens, J. Sánchez-Marín and I. Nebot-Gil,

A universal model for all organic solvent/water partition coefficients. Local log P  maps near selected atoms, in Chemical Structures, Ed. J. Gasteiger,

University of Erlangen, Nürnberg, 1999, pp. 1-1.

 

39. F. Torrens, J. Sánchez-Marín and I. Nebot-Gil,

SCAP: A universal program for the calculation of solubility in organic solvents, in water and partition coefficient, in: Solvent Selection for Pesticide Residue Analysis, Ed. J. Fournier,

Federation of European Chemical Societies, Angers, 10 pp., 1999.

 

40. F. Torrens,

Filogénesis de los simios antropoides,

Encuentros en la Biología, 8(60), 3-5 (2000).

 

41. F. Torrens,

Universal organic solvent-water partition coefficient model,

J. Chem. Inf. Comput. Sci., 40, 236-240 (2000).

 

42. F. Torrens,

Análisis fractal de la estructura terciaria de las proteínas,

Encuentros en la Biología, 8(64) 4-6 (2000).

 

43. F. Torrens,

Fractal hybrid orbitals in biopolymer chains,

Zh. Fiz. Khim., 74, 125-131 (2000).

 

44. F. Torrens,

Fractal hybrid orbitals in biopolymer chains,

Russ. J. Phys. Chem. (Engl. Transl.), 74, 115-120 (2000).

 

45. F. Torrens,

Molecular polarizability of Scn, Cn and endohedral Scn@Cm clusters,

Microelectron. Eng., 51‑52, 613-626 (2000).

 

46. F. Torrens,

Polarization force fields for peptides implemented in ECEPP2 and MM2,

Mol. Simul., 24, 391-410 (2000).

 

47. F. Torrens,

Resolution enhancement with nonlinear gradient filtering, in: Information Fusion II, Ed. E. Blasch,

International Society of Information Fusion, Silicon Valley (California), 2000, pp. 1-10.

 

48. F. Torrens,

Characterizing cavities in model inclusion fullerenes: A comparative study, in: Synthetic Organic Chemistry IV, Eds. T. Wirth, C. O. Kappe, E. Felder, U. Diederichsen and S.-K. Lin,

MDPI, Basel, 2000, pp. 1-14.

 

49. F. Torrens,

Calculation of partition coefficient and hydrophobic moment of the secondary structure of lysozyme,

J. Chromatogr., A, 908, 215-221 (2001).

 

50. F. Torrens, J. Sánchez-Marín and I. Nebot-Gil,

New dimension indices for the characterization of the solvent-accessible surface,

J. Comput. Chem., 22, 477-487 (2001).

 

51. F. Torrens,

Molecular polarizability of Sc and C (fullerene  and graphite) clusters,

Molecules, 6, 496-509 (2001).

 

52. F. Torrens,

Characterizing cavities in model inclusion fullerenes: A comparative study,

Int. J. Mol. Sci., 2, 72-89 (2001).

 

53. F. Torrens,

Free energy of solvation and partition coefficients in methanol–water binary mixtures,

Chromatographia, 53, S199‑S203 (2001).

 

54. F. Torrens,

A new topological index to elucidate apolar hydrocarbons,

J. Comput.-Aided Mol. Design, 15, 709-719 (2001).

 

55. F. Torrens,

Fractals for hybrid orbitals in protein models,

Complexity Int., 8, torren01-1-13 (2001).

 

56. F. Torrens,

Fractal hybrid orbitals analysis of tertiary structure of protein molecule, in: Synthetic Organic Chemistry V, Eds. O. Kappe, P. Merino, A. Marzinzik, H. Wennemers, T. Wirth, J.‑J. vanden Eynde and S.-K. Lin,

MDPI, Basel, 2001, pp. 1-11.

 

57. F. Torrens,

Fractal hybrid orbitals analysis of the tertiary structure of protein molecules,

Molecules, 7, 26-37 (2002).

 

58. F. Torrens,

Molecular polarizability of semiconductor clusters and nanostructures,

Physica E, 13, 67-71 (2002).

 

59. F. Torrens,

Fractal dimension of different structural-type zeolites and of the active sites,

Top. Catal., 18, 291-297 (2002).

 

60. F. Torrens,

A new tool for rational chiral-drug design: N‑Methyl barbiturates (NMB),

GIT Lab. J., 6, 63-65 (2002).

 

61. F. Torrens,

Computing the Kekulé structure count for alternant hydrocarbons,

Int. J. Quantum Chem., 88, 392-397 (2002).

 

62. F. Torrens,

Molecular polarizability of Scn, Cn and endohedral Scn@Cm clusters,

Nanotechnology, 13, 433-438 (2002).

 

63. F. Torrens and V. Soria,

Stationary-mobile phase distribution coefficient for polystyrene standards,

Sep. Sci. Technol., 37, 1653-1665 (2002).

 

64. F. Torrens,

Fractal dimension of zeolite catalysts,

Mol. Phys., 100, 3105-3109 (2002).

 

65. F. Torrens,

Calculation of organic solvent–water partition coefficients of iron–sulphur protein models,

Polyhedron, 21, 1357-1361 (2002).

 

66. F. Torrens,

Computing the permanent of the adjacency matrix for fullerenes,

Internet Electron. J. Mol. Des., 1, 351-359 (2002).

 

67. F. Torrens,

Molecular polarizability of fullerenes and endohedral metallofullerenes,

J. Phys. Org. Chem., 15, 742-749 (2002).

 

68. F. Torrens,

Valence topological charge-transfer indices for dipole moments,

J. Mol. Struct. (THEOCHEM), 621, 37-42 (2003).

 

69. F. Torrens,

Valence topological charge-transfer indices for dipole moments,

Molecules, 8, 169-185 (2003).

 

70. F. Torrens,

Characterizing cavity-like spaces in active-site models of zeolites,

Comput. Mater. Sci., 27, 96-101 (2003).

 

71. F. Torrens,

Principal component analysis of structural parameters for fullerenes,

Internet Electron. J. Mol. Des., 2, 96-111 (2003).

 

72. F. Torrens,

Nature of FeIII–O2, FeII–CO and FeIII–CN complexes of hemoprotein models,

Polyhedron, 22, 1091-1098 (2003).

 

73. F. Torrens,

A new chemical index inspired by biological plastic evolution,

Indian J. Chem., Sect. A, 42, 1258-1263 (2003).

 

74. F. Torrens,

Principal component analysis of new structural parameters for fullerenes,

Internet Electron. J. Mol. Des., 2, 546-563 (2003).

 

75. A. A. Toropov, O. M. Nabiev, P. Duchowicz, E. A. Castro and F. Torrens,

QSPR modeling of hydrocarbon dipole moments by means of correlation weighting of local graph invariants,

J. Theor. Comput. Chem., 2, 139-146 (2003).

 

76. F. Torrens,

Effect of elliptical deformation on molecular polarizabilities of model carbon nanotubes from atomic increments,

J. Nanosci. Nanotech., 3, 313-318 (2003).

 

77. F. Torrens,

New structural parameters of fullerenes for principal component analysis,

Theor. Chem. Acc., 110, 371-376 (2003).

 

78. F. Torrens,

Structural, chemical topological, electrotopological and electronic structure hypotheses,

Comb. Chem. High Throughput Screen., 6, 801-809 (2003).

 

79. F. Torrens, A. Campos and C. Abad,

Binding of vinyl polymers to anionic model membranes,

Cell. Mol. Biol., 49, 991-998 (2003).

 

80. F. Torrens

Valence topological charge-transfer indices for dipole moments, in: Mathematics and Computers in Biology and Chemistry, Eds. N. Mastorakis, M. J. Er and C. D’Attelis,

WSEAS, Athens, 2003, 6pp.

 

81. F. Torrens

Fractal dimension of transdermal-delivery drug models, in: Non‑linear Analysis, Non‑linear Systems and Chaos, Eds. N. Mastorakis, M. J. Er and C. D’Attelis,

WSEAS, Athens, 2003, 6pp.

 

82. F. Torrens,

Molecular and atomic polarizabilities of model carbon nanotubes, in: Processing and Properties of Structural Nanomaterials, Eds. L. L. Shaw, C. Suryanarayana and R. S. Mishra,

TMS, Warrendale (PA), 2003, pp. 35-42.

 

83. F. Torrens,

A new tool for information retrieval in chemical education, in: Information Technology: Coding and Computing, Ed. E. Regentova,

IEEE, Los Alamitos, 2003, 6 pp.

 

84. F. Torrens,

Interdisciplinary study on water freezing, in: Educação em Ciência na Escolaridade Básica, Ed. M. P. Carvalho,

Escola Superior de Educação de Viseu, Viseu, 2003, pp 1-9.

 

85. F. Torrens,

A comparative study of O2, CO and CN binding to metalloporphyrins, in: Synthetic Organic Chemistry VII, Eds. J. A. Seijas, D.‑C. Ji and S.‑K. Lin,

MDPI, Basel, 2003, pp. 1-12.

 

86. F. Torrens,

Effect of elliptical deformation on molecular polarizabilities of model carbon nanotubes from atomic increments, in: Fullerenes and Nanotubes: The Building Blocks of Next Generation Nanodevices, Eds. Kamat, P. V., Guldi, D. M., and D’Souza, F., Fullerenes No. 13,

The Electrochemical Society, Pennington (NJ), 2003, 383-389.

 

87. F. Torrens,

Table of periodic properties of fullerenes based on structural parameters,

J. Chem. Inf. Comput. Sci., 44, 60-67 (2004).

 

88. F. Torrens,

Effect of type, size and deformation on polarizability of carbon nanotubes from atomic increments,

Nanotechnology, 15, S259-S264 (2004).

 

89. F. Torrens,

Effect of size and deformation on polarizabilities of carbon nanotubes from

atomic increments,

Future Generation Comput. Syst., 20, 763-772 (2004).

 

90. F. Torrens,

An improved force field for O2, CO and CN binding to metalloporphyrins,

J. Inclusion Phenom. Mol. Recognit. Chem., 49, 37-46 (2004).

 

91. F. Torrens,

A comparative study of O2, CO and CN binding to heme-IX protein models,

Molecules, 9, 632-649 (2004).

 

92. F. Torrens,

Periodic table of carbon nanotubes based on the chiral vector,

Internet Electron. J. Mol. Des., 3, 514-527 (2004).

 

93. F. Torrens,

Nature of O2, CO, and CN binding to hemoprotein models,

Int. J. Quantum Chem., 99, 963-971 (2004).

 

94. F. Torrens,

Erratum: Nature of O2, CO, and CN binding to hemoprotein models,

Int. J. Quantum Chem., 99, 981-981 (2004).

 

95. Y. Marrero Ponce, M. A. Cabrera Pérez, V. Romero Zaldivar, H. González Díaz and F. Torrens,

A new topological descriptors based model for predicting intestinal epithelial transport of drugs in Caco‑2 cell culture,

J. Pharm. Pharmaceut. Sci., 7, 186-199 (2004).

 

96. Y. Marrero Ponce, H. González Díaz, V. Romero Zaldivar, F. Torrens and E. A. Castro,

3D-Chiral quadratic indices of the molecular pseudograph’s atom adjacency matrix  and their application to central chirality codification: Classification of ACE inhibitors and prediction of sreceptor antagonist activities,

Bioorg. Med. Chem., 12, 5331-5342 (2004).

 

97. F. Torrens,

A chemical index inspired by biological plastic evolution: Valence-isoelectronic series of aromatics,

J. Chem. Inf. Comput. Sci., 44, 575-581 (2004).

 

98. E. A. Castro, F. Torrens, A. A. Toropov, I. V. Nesterov and O. M. Nabiev,

QSAR modeling ANTI‑HIV‑1 activities by optimization of correlation weights of local graph invariants,

Mol. Simul., 30, 691-696 (2004).

 

99. F. Torrens,

Valence topological charge-transfer indices for dipole moments,

Mol. Divers., 8, 365-370 (2004).

 

100. Y. Marrero Ponce, D. Nodarse, H. González Díaz, R. Ramos de Armas, V. Romero Zaldivar, F. Torrens and E. A. Castro,

Nucleic acid quadratic indices of the macromolecular graph’s nucleotides adjacency matrix. Modeling of footprints after the interaction of paromomycin with the HIV–1 YRNA packaging region,

Int. J. Mol. Sci., 5, 276-293 (2004).

 

101. F. Torrens,

Table of periodic properties of fullerenes based on structural parameters,

J. Mol. Struct. (THEOCHEM), 709, 135-142 (2004).

 

102. Y. Marrero Ponce, J. A. Castillo Garit, F. Torrens, V. Romero Zaldivar and E. A. Castro,

Atom, atom-type, and total linear indices of the molecular pseudograph’s atom adjacency matrix:  Application to QSPR/QSAR of organic compounds,

Molecules, 9, 1100-1123 (2004).

 

103. Y. Marrero Ponce, R. Medina Marrero, E. A. Castro, R. Ramos de Armas, H. González Díaz, V. Romero Zaldivar and F. Torrens,

Protein quadratic indices of the macromolecular pseudograph’s a‑carbon atom adjacency matrix. 1. Prediction of Arc repressor alanine-mutant’s stability,

Molecules, 9, 1124-1147 (2004).

 

104. F. Torrens,

Valence topological charge-transfer indices for dipole moments: Percutaneous enhancers,

Molecules, 9, 1222-1235 (2004).

 

105. F. Torrens,

Fractal dimension of transdermal-delivery drug models,

Leb. Sci. J., 5(1), 61-70 (2004).

 

106. Y. Marrero-Ponce, J. A. Castillo-Garit, E. Olazabal, H. S. Serrano, A. Morales, N. Castañedo, F. Ibarra-Velarde, A. Huesca-Guillen, E. Jorge, A. del Valle, F. Torrens and E. A. Castro,

TOMOCOMD–CARDD, a novel approach for computer-aided rational  drug design: I. Theoretical and experimental assessment of a promising method for computational screening and in silico  design of new anthelmintic compounds,

J. Comput.-Aided Mol. Design, 18, 615-634 (2004).

 

107. F. Torrens,

Molecular polarizability of Si/Ge/GaAs semiconductors clusters,

J. Comput. Methods Sci. Eng., 4, 439-450 (2004).

 

108. F. Torrens,

Calculation of partition coefficients of single-wall carbon nanotubes, in: Lipophilicity III, Ed. S. D., Kramer,

ETH, Zurich, 2004, 18 pp.

 

109. F. Torrens,

Calculations on solvents and co‑solvents of single-wall carbon nanotubes: Cyclopyranoses, in: Synthetic Organic Chemistry VIII, Eds. J. A. Seijas and M. P. Vázquez Tato,

Universidad de Santiago de Compostela, Santiago de Compostela, 2004, pp. 1-14.

 

110. F. Torrens,

Calculations on cyclopyranoses as co‑solvents of single-wall carbon nanotubes,

Mol. Simul., 31, 107-114 (2005).

 

111. F. Torrens,

Periodic properties of carbon nanotubes based on the chiral vector,

Internet Electron. J. Mol. Des., 4, 59-81 (2005).

 

112. Y. Marrero-Ponce, J. A. Castillo-Garit, E. Olazabal, H. S. Serrano, A. Morales, N. Castañedo, F. Ibarra-Velarde, A. Huesca-Guillen, A. M. Sánchez, F. Torrens and E. A. Castro,

Atom, atom-type and total molecular linear indices as a promising approach for bioorganic and medicinal chemistry: Theoretical and experimental assessment of a novel method for virtual screening and rational design of new lead anthelmintic,

Bioorg. Med. Chem., 13, 1005-1020 (2005).

 

113. Y. Marrero Ponce, M. A. Cabrera Pérez, V. Romero Zaldivar, M. Bermejo Sanz, D. Siverio Mota and F. Torrens,

Prediction of intestinal epithelial transport of drug in (Caco‑2) cell culture from molecular structure using in silico  approaches during early drug discovery,

Internet Electron. J. Mol. Des., 4, 124-150 (2005).

 

114. Y. Marrero-Ponce, R. Medina-Marrero, F. Torrens, Y. Martinez, V. Romero-Zaldivar and E. A. Castro,

Atom, atom-type, and total nonstochastic and stochastic quadratic fingerprints: A promissing approach for modeling of antibacterial activity,

Bioorg. Med. Chem., 13, 2881-2899 (2005).

 

115. Y. Marrero-Ponce, R. Medina-Marrero, J. A. Castillo-Garit, V. Romero-Zaldivar, F. Torrens and E. A. Castro,

Protein linear indices of the macromolecular pseudograph  a‑carbon atom adjacency matrix  in bioinformatics. Part 1: Prediction of protein stability effects of a complete set of alanine substitutions in Arc repressor,

Bioorg. Med. Chem., 13, 3003-3015 (2005).

 

116. F. Torrens,

Valence topological charge-transfer indices for reflecting polarity: Correction for heteromolecules,

Molecules, 10, 334-345 (2005).

 

117. F. Torrens, C. Abad, A. Codoñer, R. García-Lopera and A. Campos,

Interaction of polyelectrolytes with oppositely charged micelles studied by fluorescence and liquid chromatography,

Eur. Polym. J., 41, 1439-1452 (2005).

 

118. F. Torrens,

Some calculations on single-wall carbon nanotubes,

Probl. Nonlin. Anal. Eng. Syst., 11(2), 1-16 (2005).

 

119. F. Torrens,

Calculations on solvents and co‑solvents of single-wall carbon nanotubes: Cyclopyranoses,

Nanotechnology, 16, S181-S189 (2005).

 

120. F. Torrens,

Calculations on solvents and co‑solvents of single-wall carbon nanotubes: Cyclopyranoses,

J. Mol. Struct. (THEOCHEM), 757, 183-191 (2005).

 

121. Y. Marrero-Ponce, Y. Machado-Tugores, D. Montero Pereira, J. A. Escario, A. Gómez Barrio, J. J. Nogal-Ruiz, C. Ochoa, V. J. Arán, A. R. Martínez-Fernández, R. N. García Sánchez, A. Montero-Torres, F. Torrens and A. Meneses-Marcel,

A computer-based approach to the rational discovery of new trichomonacidal drugs by atom-type linear indices,

Curr. Drug Discov. Technol., 2, 245-265 (2005).

 

122. F. Torrens and G. Castellano,

Cluster origin of the solubility of single-wall carbon nanotubes,

Comput. Lett., 1, 331-336 (2005).

 

123. F. Torrens, Partition of solvents and co‑solvents of nanotubes: Proteins and cyclopyranoses, in: Frontiers in Drug Design and Discovery I, Eds. G. W. Caldwell, Atta-ur-Rahman and B. A. Springer, Bentham, Hilversum (Holland), 2005, 231-266.

 

124. F. Torrens,

Resonance in an interacting induced-dipole polarization model, in: Computational Methods in Sciences and Engineering, Ed. T. E. Simos, Lecture Series on Computer and Computational Sciences No. 3,

Brill Academic, Leiden, 2005, 1-2.

 

125. F. Torrens,

Calculations on solvents and co‑solvents of carbon nanotubes: Cyclopyranoses, in: Functional Nanomaterials, Eds. K. E. Geckeler and E. Rosenberg,

American Scientific, Stevenson Ranch (CA), 2005, ch. 6, pp. 1-13.

 

126. F. Torrens,

Calculations on solvents and co‑solvents of single-wall carbon nanotubes: Cyclopyranoses, in: Nanoscale Devices, Materials, and Biological Systems: Fundamental and Applications, Eds. M. Cahay, M. Urquidi-Macdonald, S. Bandyopadhyay, P. Guo, H. Hasegawa, N. Koshida, J. P. Leburton, D. J. Lockwood, S. Seal and A. Stella,

The Electrochemical Society, Pennington (NJ), 2005, 439-458.

 

127. F. Torrens and G. Castellano,

Periodic table of local anaesthetics (procaine analogues), in: Synthetic Organic Chemistry IX, Eds. J. A. Seijas and M. P. Vázquez Tato,

MDPI, Basel (Switzerland), 2005, pp. 1-18.

 

128. Y. Marrero Ponce and F. Torrens,

Novel 2D TOMOCOMD–CARDD descriptors: Atom-based stochastic and non‑stochastic bilinear indices and their QSPR applications, in: Synthetic Organic Chemistry IX, Eds. J. A. Seijas and M. P. Vázquez Tato,

MDPI, Basel (Switzerland), 2005, pp. 1-22.

 

129. Y. Marrero Ponce and F. Torrens,

Bond, bond-type, and total linear indices of the non‑stochastic and stochastic edge adjacency matrix. 1. Theory and QSPR Studies, in: Synthetic Organic Chemistry IX, Eds. J. A. Seijas and M. P. Vázquez Tato,

MDPI, Basel (Switzerland), 2005, pp. 1-21.

 

130. G. M. Casañola-Martín, M. T. H. Khan, Y. Marrero-Ponce, A. Ather, M. N. Sultankhodzhaev and F. Torrens,

New tyrosinase inhibitors selected by atomic linear indices-based classification models,

Bioorg. Med. Chem. Lett., 16, 324-330 (2006).

 

131. F. Torrens and G. Castellano,

Periodic classification of local anaesthetics (procaine analogues),

Int. J. Mol. Sci., 7, 12-34 (2006).

 

132. F. Torrens,

Calculations of organic-solvent dispersions of single-wall carbon nanotubes,

Int. J. Quantum Chem., 106, 712-718 (2006).

 

133. F. Torrens,

Corrigendum: Effect of type, size and deformation on polarizability of carbon nanotubes from atomic increments,

Nanotechnology, 17, 1541-1541 (2006).

 

134. Y. Marrero-Ponce, R. Medina Marrero, F. Torrens, Y. Martinez, M. García Bernal, V. Romero Zaldivar, E. A. Castro and R. Grau Abalo,

Non‑stochastic and stochastic linear indices of the molecular pseudograph’s atom-adjacency matrix: A novel approach for computational in silico  screening and rational  selection of new lead antibacterial agents,

J. Mol. Model., 12, 255-271 (2006).

 

135. A. Montero-Torres, R. N. García-Sánchez, Y. Marrero-Ponce, Y. Machado-Tugores, J. J. Nogal-Ruiz, A. R. Martínez-Fernández, V. J. Arán, C. Ochoa, A. Meneses-Marcel and F. Torrens,

Non‑stochastic quadratic fingerprints and LDA-based QSAR models in hit and lead generation through virtual screening: Theoretical and experimental assessment of a promising method for the discovery of new antimalarial compounds,

Eur. J. Med. Chem., 41, 483-493 (2006).

 

136. J. A. Castillo-Garit, Y. Marrero-Ponce and F. Torrens,

Atom-based 3D‑chiral quadratic indices. Part 2: Prediction of the corticosteroid-binding glubulin binding affinity of the 31 benchmark steroids data set,

Bioorg. Med. Chem., 14, 2398-2408 (2006).

 

137. F. Torrens and G. Castellano,

Fractal dimension of active-site models of zeolite catalysts,

J. Nanomater., 1-9 (2006).

 

138. Y. Marrero-Ponce, A. Meneses-Marcel, J. A. Castillo-Garit, Y. Machado-Tugores, J. A. Escario, A. Gómez Barrio, D. Montero Pereira, J. J. Nogal-Ruiz, V. J. Arán, A. R. Martínez-Fernández, F. Torrens, R. Rotondo, F. Ibarra-Velarde and Y. J. Alvarado,

Predicting antitrichomonal activity: A computational screening using atom-based bilinear indices and experimental proofs,

Bioorg. Med. Chem., 14, 6502-6524 (2006).

 

139. F. Torrens, V. Soria, A. Codoñer, C. Abad and A. Campos,

Compatibility between polystyrene copolymers and polymers in solution via  hydrogen bonding,

Eur. Polym. J., 42, 2807-2823 (2006).

 

140 . Y. M. Álvarez-Ginarte, R. Crespo-Otero, Y. Marrero-Ponce, L. A. Montero, J. A. Ruiz-García, A. Padrón-García and F. Torrens-Zaragoza,

Quantitative structure–activity relationship of the 4,5adihydrotestosterone steroid family,

QSAR Comb. Sci., 25, 881-894 (2006).

 

141. Y. Marrero-Ponce, F. Torrens, Y. J. Alvarado and R. Rotondo,

Bond-based global and local (bond, group and bond-type) quadratic indices and their applications to computer-aided molecular design. 1. QSPR studies of diverse sets of organic chemicals,

J. Comput.-Aided Mol. Design, 20, 685-701 (2006).

 

142. F. Torrens, V. Soria, I. S. Monzó, C. Abad and A. Campos,

Treatment of poly(styrene‑co‑methacrylic acid)/poly(4‑vinylpyridine) blends in solution under liquid–liquid phase-separation conditions. A new method for phase-separation data attainment from viscosity measurements,

J. Appl. Polym. Sci., 102, 5039-5049 (2006).

 

143. F. Torrens and G. Castellano,

Peptide potential energy surfaces and protein folding,

J. Argent. Chem. Soc., 94(1-3), 27-47 (2006).

 

144. M. C. Vega, A. Montero-Torres, Y. Marrero-Ponce, M. Rolón, A. Gómez-Barrio, J. A. Escario, V. J. Arán, J. J. Nogal, A. Meneses-Marcel and F. Torrens,

New ligand-based approach for the discovery of antitrypanosomal compounds,

Bioorg. Med. Chem. Lett., 16, 1898-1904 (2006).

 

145. F. Torrens,

Molecular polarizability of Si/Ge/GaAs semiconductors clusters, in: Computational Aspects of Electric Polarizability Calculations: Atoms, Molecules an Clusters, Ed. G. Maroulis,

IOS, Amsterdam, 2006, pp. 205-216.

 

146.  F. Torrens and G. Castellano,

Cluster origin of the solubility of single-wall carbon nanotubes, in:

Structures and Properties of Clusters: From a few Atoms to Nanoparticles, Ed. G. Maroulis, Lecture Series on Computer and Computational Sciences No. 5,

VSP Brill, Leiden, 2006, pp. 187-192.

 

147.  F. Torrens and G. Castellano,

Effect of packing on cluster solvation of nanotubes, in: Nanotechnology VI, Eds. S. Bandyopadhyay and M. Cahay,

Institute of Electrical and Electronics Engineers, Piscataway (NJ), 2006, pp. 1-4.

 

148. F. Torrens and G. Castellano,

Negatively cooperative binding of melittin to neutral phospholipid vesicles, in: Synthetic Organic Chemistry X, Eds. J. A. Seijas and M. P. Vázquez Tato,

MDPI, Basel (Switzerland), 2006, pp. 1-27.

 

149. F. Torrens and G. Castellano,

Polarizability characterization of zeolitic Brønsted acidic sites, in: Synthetic Organic Chemistry X, Eds. J. A. Seijas and M. P. Vázquez Tato,

MDPI, Basel (Switzerland), 2006, pp. 1-22.

 

150. Y. Marrero-Ponce, A. Meneses-Marcel, O. M. Rivera-Borroto, A. Montero, J. A. Escario, A. Gómez Barrio, D. Montero Pereira, J. J. Nogal, R. Grau, F. Torrens, F. Ibarra-Velarde, R. Rotondo, Y. J. Alvarado, C. Vogel and L. Rodriguez-Machin,

Quick access to potential trichomonacidals through bond linear indices – Trained ligand-based virtual screening models, in: Synthetic Organic Chemistry X, Eds. J. A. Seijas and M. P. Vázquez Tato,

MDPI, Basel (Switzerland), 2006, pp. 1-41.

 

151. A. Meneses-Marcel, O. M. Rivera-Borroto, Y. Marrero-Ponce, A. Montero, Y. Machado Tugores, J. A. Escario, A. Gómez Barrio, D. Montero Pereira, J. J. Nogal, V. V. Kouznetsov, C. Ochoa Puentes, A. R. Bohórquez, R. Grau, N. Castañedo Cancio, F. Torrens, F. Ibarra-Velarde, R. Rotondo, Y. J. Alvarado, C. Vogel and L. Rodriguez-Machin,

Bond-based quadratic TOMOCOMD-CARDD molecular indices and statistical techniques for new antitrichomonal drug-like compounds discovery, in: Synthetic Organic Chemistry X, Eds. J. A. Seijas and M. P. Vázquez Tato,

MDPI, Basel (Switzerland), 2006, pp. 1-53.

 

152. J. A. Castillo-Garit, Y. Marrero-Ponce, R. Medina-Marrero, V. Romero-Zaldivar, F. Torrens and E. A. Castro, Protein linear indices in bioinformatics studies: 1. Prediction of protein stability effects of a complete set of alanine substitutions in Arc repressor, in: Synthetic Organic Chemistry X, Eds. J. A. Seijas and M. P. Vázquez Tato, MDPI, Basel (Switzerland), 2006, pp. 1-26.

 

153. J. A. Castillo-Garit, Y. Marrero-Ponce, F. Torrens and R. Rotondo, Atom-based stochastic and non‑stochastic 3D-chiral bilinear indices and their applications to central chirality codification, in: Synthetic Organic Chemistry X, Eds. J. A. Seijas and M. P. Vázquez Tato, MDPI, Basel (Switzerland), 2006, pp. 1-36.

 

154. G. M. Casañola-Martín, Y. Marrero-Ponce, M. T. H. Khan, A. Ather, M. N. Sultankhodzhaev and F. Torrens,

In silico  discovery of novel tyrosinase inhibitors using atom based linear indices, in: Synthetic Organic Chemistry X, Eds. J. A. Seijas and M. P. Vázquez Tato,

MDPI, Basel (Switzerland), 2006, pp. 1-12.

 

155. G. M. Casañola-Martín, Y. Marrero-Ponce, M. T. H. Khan, A. Ather, K. M. Khan, F. Torrens and R. Rotondo,

The Dragon method in the computational identification of novel tyrosinase inhibitors. Results supported by experimental assays, in: Synthetic Organic Chemistry X, Eds. J. A. Seijas and M. P. Vázquez Tato,

MDPI, Basel (Switzerland), 2006, pp. 1-25.

 

156. F. Torrens and G. Castellano,

Polarizability of zeolitic Brønsted acidic sites, in: Computational and Mathematical Methods in Science and Engineering VI, Eds. R. Criado and D. Estep,

Universidad Rey Juan Carlos, Madrid (Spain), 2006, pp. 1-8.

 

157. F. Torrens and G. Castellano,

Cluster nature of the solvation features of single-wall carbon nanotubes, in: Focus on Nanotube Research, Ed. D. A. Martin,

Nova, New York (NY), 2006, pp. 37-65.

 

158. G. M. Casañola-Martín, Y. Marrero-Ponce, M. T. H. Khan, A. Ather, S. Sultan, F. Torrens and R. Rotondo,

TOMOCOMD-CARDD descriptors-based virtual screening of tyrosinase inhibitors: Evaluation of different classification model combinations using bond-based linear indices,

Bioorg. Med. Chem., 15, 1483-1503 (2007).

 

159. F. Torrens, G. Castellano, A. Campos and C. Abad,

Negatively cooperative binding of melittin to neutral phospholipid vesicles,

J. Mol. Struct., 834-836, 216-228 (2007).

 

160. Y. Marrero Ponce, M. T. H. Khan, G. M. Casañola Martín, A. Ather, M. N. Sultankhodzhaev, F. Torrens, R. Rotondo and Y. J. Alvarado,

Atom-based 2D quadratic indices in drug discovery of novel tyrosinase inhibitors: Results of in silico  studies supported by experimental results,

QSAR Comb. Sci., 26, 469-487 (2007).

 

161. F. Torrens and G. Castellano,

Cluster origin of the transfer phenomena of single-wall carbon nanotubes,

J. Comput. Theor. Nanosci., 4, 588-603 (2007).

 

162. Y. Marrero-Ponce, M. T. H. Khan, G. M. Casañola-Martín, A. Ather, M. N. Sultankhodzhaev, R. García-Domenech, F. Torrens and R. Rotondo,

Bond-based 2D TOMOCOMD-CARDD  approach for drug discovery: Aiding decision-making in in silico  selection of new lead tyrosinase inhibitors,

J. Comput.‑Aided Mol. Design, 21, 167-188 (2007).

 

163. Y. Marrero-Ponce, M. T. H. Khan, G. M. Casañola Martín, A. Ather, M. N. Sultankhodzhaev, F. Torrens and R. Rotondo,

Prediction of tyrosinase inhibition activity using novel atom-based bilinear indices,

ChemMedChem, 2, 449-478 (2007).

 

164.  F. Torrens and G. Castellano,

Net charge and polarizability of zeolitic Brønsted acidic sites,

Int. J. Quantum Chem., 107, 2378-2383 (2007).

 

165. J. A. Castillo-Garit, Y. Marrero-Ponce, F. Torrens and R. Rotondo,

Atom-based stochastic and non‑stochastic 3D-chiral bilinear indices and their applications to central chirality codification,

J. Mol. Graphics Model., 26, 32-47 (2007).

 

166. G. M. Casañola-Martín, Y. Marrero-Ponce, M. T. H. Khan, A. Ather, K. M. Khan, F. Torrens and R. Rotondo,

Dragon method for finding novel tyrosinase inhibitors: Biosilico  identification and experimental in vitro  assays,

Eur. J. Med. Chem., 42, 1370-1381 (2007).

 

167. F. Torrens and G. Castellano,

Effect of packing on the cluster nature of C nanotubes: An information entropy analysis,

Microelectron. J., 38, 1109-1122 (2007).

 

168. F. Torrens and G. Castellano,

Cluster nature of the solvation features of single-wall carbon nanotubes,

Curr. Res. Nanotech., 1, 1-29 (2007).

 

169. F. Torrens and G. Castellano,

Asymptotic analysis of coagulation–fragmentation equations of carbon nanotube clusters,

Nanoscale Res. Lett., 2, 337-349 (2007).

 

170. F. Torrens and G. Castellano,

Editorial,

Meet. Sci. Technol. Educ. Gend., 1, [editor01]–1-1 (2007).

 

171. F. Torrens and G. Castellano,

Propuesta de una revista de divulgación científico-tecnológica y de género,

Meet. Sci. Technol. Educ. Gend., 1, [torren01]–1-10 (2007).

 

172. F. Torrens and G. Castellano,

Plan de gestión de recursos en un grupo de divulgación de la ciencia,

Meet. Sci. Technol. Educ. Gend., 1, [torren02]–1-2 (2007).

 

173. F. Torrens and G. Castellano,

Resultados de un estudio nacional sobre la acreditación de profesores funcionarios,

Meet. Sci. Technol. Educ. Gend., 1, [torren03]–1-2 (2007).

 

174. F. Torrens and G. Castellano,

Encuentros en la Ciencia, la Tecnología, la Educación y el Género  no es gratis,

Meet. Sci. Technol. Educ. Gend., 1, [torren04]–1-1 (2007).

 

175. F. Torrens and G. Castellano,

Aplicación con éxito de las nuevas tecnologías al proceso formativo,

Meet. Sci. Technol. Educ. Gend., 1, [torren05]–1-1 (2007).

 

176. F. Torrens and G. Castellano,

Papel del AZT en el origen del síndrome de inmunodeficiencia adquirida,

Meet. Sci. Technol. Educ. Gend., 1, [torren06]–1-2 (2007).

 

177. F. Torrens and G. Castellano,

Nutrición básica humana,

Meet. Sci. Technol. Educ. Gend., 1, [torren07]–1-3 (2007).

 

178. F. Torrens and G. Castellano,

Diferencias de género en tricomoniosis humana,

Meet. Sci. Technol. Educ. Gend., 1, [torren08]–1-8 (2007).

 

179. F. Torrens and G. Castellano,

Diferencias de género en hormonas sexuales esteroidales y sus receptores,

Meet. Sci. Technol. Educ. Gend., 1, [torren09]–1-4 (2007).

 

180. F. Torrens and G. Castellano,

Diferencias de género en inhibidores del virus de inmunodeficiencia humana,

Meet. Sci. Technol. Educ. Gend., 1, [torren10]–1-5 (2007).

 

181. F. Torrens and G. Castellano,

MiARNs reescriben las reglas de la Biología Molecular,

Meet. Sci. Technol. Educ. Gend., 1, [torren11]–1-5 (2007).

 

182. F. Torrens and G. Castellano,

Reseña de la I Setmana del Medi AMBIENT i la SOStenibilitat,

Meet. Sci. Technol. Educ. Gend., 1, [torren12]–1-5 (2007).

 

183. F. Torrens and G. Castellano,

Plan estratégico y excelencia comercial: Aplicación en educación,

Meet. Sci. Technol. Educ. Gend., 1, [torren13]–1-4 (2007).

 

184. F. Torrens and G. Castellano,

Sirenas y valores,

Meet. Sci. Technol. Educ. Gend., 1, [torren14]–1-11 (2007).

 

185. F. Torrens and G. Castellano,

Periodic classification of human immunodeficiency virus inhibitors, in: Synthetic Organic Chemistry XI, Eds. J. A. Seijas and M. P. Vázquez Tato,

MDPI, Basel (Switzerland), 2007, pp. 1-10.

 

186. F. Torrens and G. Castellano,

Correction of charge-transfer indices for multifunctional amino acids: Application to lysozyme, in: Synthetic Organic Chemistry XI, Eds. J. A. Seijas and M. P. Vázquez Tato,

MDPI, Basel (Switzerland), 2007, pp. 1-16.

 

187. F. Torrens and G. Castellano,

Calculation of partition coefficients of Fe–S/Se protein models, in: Synthetic Organic Chemistry XI, Eds. J. A. Seijas and M. P. Vázquez Tato,

MDPI, Basel (Switzerland), 2007, pp. 1-14.

 

188. F. Torrens and G. Castellano,

Information entropy and the classification of local anaesthetics, in: Synthetic Organic Chemistry XI, Eds. J. A. Seijas and M. P. Vázquez Tato,

MDPI, Basel (Switzerland), 2007, pp. 1-17.

 

189. J. A. Castillo-Garit, Y. Marrero-Ponce, F. Torrens and R. García-Domenech,

Estimation of ADME properties in drug discovery: Predicting Caco‑2 cell permeability using atom-based stochastic and non‑stochastic linear indices, in: Synthetic Organic Chemistry XI, Eds. J. A. Seijas and M. P. Vázquez Tato,

MDPI, Basel (Switzerland), 2007, pp. 1-40.

 

190. Y. M. Álvarez-Ginarte, Y. Marrero-Ponce, J. A. Ruiz-García, L. A. Montero-Cabrera, J. M. García de la Vega, P. Noheda-Marín, R. Crespo-Otero. F. Torrens-Zaragozá and R. García-Domenech,

Applying pattern recognition methods plus quantum and physico-chemical molecular descriptors to analyze the anabolic activity of structurally diverse steroids,

J. Comput. Chem., 29, 317-333 (2008).

 

191. F. Torrens, L. Solar, V. Puchol, J. Latorre, C. Abad and A. Campos,

Incorporation of silica nanospherical particles into epoxy-amine cross-linked materials,

Polym. Polym. Compos., 16, 139-152 (2008).

 

192. J. A. Castillo-Garit, Y. Marrero-Ponce, F. Torrens and R. García-Domenech,

Estimation of ADME properties in drug discovery: Predicting Caco‑2 cell permeability using atom-based stochastic and non‑stochastic linear indices,

J. Pharm. Sci., 97, 1946-1976 (2008).

 

193. Y. Marrero-Ponce, A. Meneses-Marcel, O. M. Rivera-Borroto, R. García-Domenech, J. V. de Julián-Ortiz, A. Montero, J. A. Escario, A. Gómez Barrio, D. Montero Pereira, J. J. Nogal, R. Grau, F. Torrens, C. Vogel and V. J. Arán,

Bond-based linear indices in QSAR: Computational discovery of novel anti‑trichomonal compounds,

J. Comput.-Aided Mol. Design, 22, 523-540 (2008).

 

194. J. A. Castillo-Garit, Y. Marrero-Ponce, J. Escobar, F. Torrens and R. Rotondo,

A novel approach to predict aquatic toxicity from molecular structure,

Chemosphere, 73, 415-427 (2008).

 

195. J. A. Castillo-Garit, O. Martinez-Santiago, Y. Marrero-Ponce, G. M. Casañola-Martín and F. Torrens,

Atom-based non‑stochastic and stochastic bilinear indices: Application to QSPR/QSAR studies of organic compounds,

Chem. Phys. Lett., 464, 107-112 (2008).

 

196. F. Torrens, C. M. Gómez, L. M. León, C. Abad and A. Campos,

Modelling studies of the phase behaviour of monomer/polymer/disk composites,

Macromol. Theory Simul., 17, 325-340 (2008).

 

197. J. A. Castillo-Garit, Y. Marrero-Ponce, F. Torrens, R. García-Domenech and V. Romero Zaldivar,

Bond-based 3D-chiral linear indices: Theory and QSAR applications to central chirality codification,

J. Comput. Chem., 29, 2500-2512 (2008).

 

198. Y. Marrero-Ponce, F. Torrens, R. García-Domenech, S. E. Ortega-Broche and V. Romero Zaldivar,

Novel 2D TOMOCOMD-CARDD molecular descriptors: Atom-based stochastic and non‑stochastic bilinear indices and their QSPR applications,

J. Math. Chem., 44, 650-673 (2008).

 

199. Y. Marrero-Ponce, J. A. Castillo-Garit, E. A. Castro, F. Torrens and R. Rotondo,

3D-chiral (2.5) atom-based TOMOCOMD-CARDD descriptors: Theory and QSAR applications to central chirality codification,

J. Math. Chem., 44, 755-786 (2008).

 

200. A. Meneses-Marcel, O. M. Rivera-Borroto, Y. Marrero-Ponce, A. Montero, Y. Machado Tugores, J. A. Escario, A. Gómez Barrio, D. Montero Periera, J. J. Nogal, V. V. Kouznetsov, C. Ochoa Puentes, A. R. Bohórquez, R. Grau, F. Torrens, F. Ibarra-Velarde and V. J. Arán,

New antitrichomonal drug-like chemicals selected by bond (edge)-based TOMOCOMD–CARDD descriptors,

J. Biomol. Screen., 13, 785-794 (2008).

 

201. F. Torrens, I. S. Monzó, C. M. Gómez-Clarí, C. Abad and A. Campos,

Study and comparison of interaction parameters and phase behaviour of epoxy/polystyrene and epoxies copolymer polystyrene–b–poly(methyl methacrylate) blends,

Polym. Compos., 29, 1337-1345 (2008).

 

202. F. Torrens and G. Castellano,

Improvement of charge-transfer indices for multifunctional amino acids: Application to lysozyme,

SAR QSAR Environ. Res., 19, 643-654 (2008).

 

203. F. Torrens and G. Castellano,

Fractal dimension of transdermal-delivery drug models: 4-Alkylanilines,

J. Liq. Chromatogr. Relat. Technol., 31, 2337-2347 (2008).

 

204. F. Torrens and G. Castellano,

Properties of fullerite and other symmetric carbon forms: Similarity laws,

Symmetry Cult. Sci. 19, 341-370 (2008).

 

205. F. Torrens and G. Castellano,

Properties of fullerenes and other polyhedral cages: Isoperimetric quotient,

Symmetry Cult. Sci. 19, 371-383 (2008).

 

206. F. Torrens and G. Castellano,

Nuevo diseño y aproximaciones no ortodoxas con nanotubos de carbono, in: Sensors: A Local Approach, Eds. E. García Breijo, L. Gil Sánchez, Á. Maquieira Catalá, M. D. Marcos Martínez, R. Martínez Máñez, R. Puchades Pla, J. V. Ros Lis, F. Sancenón Galarza and J. Soto Camino,

Universidad Politécnica de Valencia, València, 2008, Vol. 1, ch. 52, pp. 409-415.

 

207. F. Torrens and G. Castellano,

Resonance in interacting induced-dipole polarizing force-field derivatives, in: Computational and Mathematical Methods in Science and Engineering VIII, Ed., J. Vigo-Aguilar,

Universidad de Salamanca, Salamanca (Spain), 2008, pp. 643-646.

 

208. F. Torrens and G. Castellano, A new tool for interrogation of macromolecular structure in chemical education, in: Synthetic Organic Chemistry XII, Eds. J. A. Seijas and M. P. Vázquez Tato, MDPI, Basel (Switzerland), 2008, pp. 1-17.

 

209. R. Medina Marrero, Y. Marrero-Ponce, Y. Echeverría Díaz, G. M. Casañola-Martín, M. García Bernal, F. Torrens and F. Pérez Giménez,

TOMOCOMD–CARDD method in early drug discovery-based rational drug selection of antifungal agents. A comparative study, in: Synthetic Organic Chemistry XII, Eds. J. A. Seijas and M. P. Vázquez Tato,

MDPI, Basel (Switzerland), 2008, pp. 1-27.

 

210. J. A. Castillo-Garit, Y. Marrero-Ponce, F. Torrens and R. García-Domenech,

Bond-based 3D-chiral linear indices: Theory and QSAR applications to central chirality codification, in: Synthetic Organic Chemistry XII, Eds. J. A. Seijas and M. P. Vázquez Tato,

MDPI, Basel (Switzerland), 2008, pp. 1-25.

 

211. Y. Marrero-Ponce, G. M. Casañola-Martín, M. T. H. Khan, A. Ather, K. M. Khan, V. Romero Zaldivar, F. Torrens, R. Rotondo and F. Pérez-Giménez,

Bond-based 2D quadratic fingerprints in QSAR studies. Virtual and in vitro  tyrosinase inhibitory activity elucidation, in: Synthetic Organic Chemistry XII, Eds. J. A. Seijas and M. P. Vázquez Tato,

MDPI, Basel (Switzerland), 2008, pp. 1-36.

 

212. Y. Marrero-Ponce, S. E. Ortega-Broche, Y. Echeverría Díaz, Y. J. Alvarado, N. Cubillan, R. Grau, F. Torrens and F. Pérez-Giménez, Nucleotide’s bilinear indices: Novel bio‑macromolecular descriptors for bioinformatics studies of nucleic acids. I. Prediction of paromomycin’s affinity constant with HIV‑1 Y‑RNA packaging region, in: Synthetic Organic Chemistry XII, Eds. J. A. Seijas and M. P. Vázquez Tato, MDPI, Basel (Switzerland), 2008, pp. 1-50.

 

213. Y. Marrero Ponce, S. E. Ortega-Broche, Y. Echeverría Díaz, F. Torrens and F. Pérez-Giménez, TOMOCOMD–CAMPS and protein bilinear indices: Novel bio‑macromolecular descriptors for protein research. I. Predicting protein stability effects of a complete set of alanine substitutions in Arc repressor, in: Synthetic Organic Chemistry XII, Eds. J. A. Seijas and M. P. Vázquez Tato, MDPI, Basel (Switzerland), 2008, pp. 1-55.

 

214. F. Torrens and G. Castellano, High-performance size-exclusion chromatography as a technique for characterizing the interaction between polyanions and cationic liposomes, in: Ingeniería de Materiales Biopoliméricos I, Ed. J. Cortés, Fundación para la Educación Superior Internacional, Xalapa (Veracruz), 2008, pp. 1-14.

 

215. F. Torrens and G. Castellano, Phylogenesis by information entropy: Avian birds and 1918 influenza virus, in: Modelling & Simulation II, Eds. S. Turner and J. Yunus, IEEE, London, 2008, pp. 1-2.

 

216. O. M. Rivera-Borroto, Y. Marrero-Ponce, A. Meneses-Marcel, J. A. Escario, A. Gómez Barrio, V. J. Arán, M. A. Martins Alho, D. Montero Pereira, J. J. Nogal, F. Torrens, F. Ibarra-Velarde, Y. Vera Montenegro, A. Huesca-Guillén, N. Rivera and C. Vogel,

Discovery of novel trichomonacidals using LDA-driven QSAR models and bond-based bilinear indices as molecular descriptors,

QSAR Comb. Sci., 28, 9-26 (2009).

 

217. J. A. Castillo-Garit, Y. Marrero-Ponce, F. Torrens, R. García-Domenech and J. E. Rodríguez-Borges,

Applications of bond-based 3D-chiral quadratic indices in QSAR studies related to central chirality codification,

QSAR Comb. Sci., 28, 1465-1477 (2009).

 

218. F. Torrens and G. Castellano,

Resonance in interacting induced-dipole polarizing force fields: Application to force-field derivatives,

Algorithms, 2, 437-447 (2009).

 

219. F. Torrens, G. Castellano, A. Campos and C. Abad,

Binding of water-soluble, globular proteins to anionic model membranes,

J. Mol. Struct., 924-926, 274-284 (2009).

 

220. Y. Marrero-Ponce, S. E. Ortega-Broche, Y. Echeverría Díaz, Y. J. Alvarado, N. Cubillan, G. Casas Cardoso, F. Torrens and F. Pérez-Giménez,

Nucleotide’s bilinear indices: Novel bio‑macromolecular descriptors for bioinformatics studies of nucleic acids. I. Prediction of paromomycin’s affinity constant with HIV‑1 Y‑RNA packaging region,

J. Theor. Biol., 259, 229-241 (2009).

 

221. L. M. León, M. Laza, V. Puchol, F. Torrens, C. Abad and A. Campos,

Dynamic mechanical measurements of epoxy matrix-silica nanocomposites II,

Polym. Polym. Compos., 17, 313-324 (2009).

 

222. F. Torrens and G. Castellano,

Comparative analysis of the electrostatics of the binding of cationic proteins to vesicles: Asymmetric location of anionic phospholipids,

Anal. Chim. Acta, 654, 2-10 (2009).

 

223. L. M. León, M. Laza, F. Torrens, V. Puchol, C. Abad and A. Campos,

Incorporation of silica nanospherical particles in epoxy–amine crosslinked materials II. Dynamic mechanical measurements of epoxy matrix-silica nanocomposites,

Polym. Polym. Compos., 17, 457-465 (2009).

 

224. F. Torrens and G. Castellano,

Topological charge-transfer indices: From small molecules to proteins,

Curr. Proteomics, 6, 204-213 (2009).

 

225. F. Torrens and G. Castellano,

Modelling of complex multicellular systems: Tumour–immune cells competition,

Chem. Central J., 3(Suppl. I), 75–1-1 (2009).

 

226. G. Castellano Estornell and F. Torrens Zaragozá,

Local anaesthetics classified using chemical structural indicators,

Nereis, (2) 7-17 (2009).

 

227. F. Torrens and G. Castellano, Periodic classification of human immunodeficiency virus inhibitors, in: Biomedical Data and Applications, Eds. A. S. Sidhu, T. Dillon and M. Bellgard, Stud. Comput. Intelligence No. 224, Springer, Berlin, 2009, pp. 1-65.

 

228. F. Torrens and G. Castellano,

Classification of complex molecules, in: Foundations of Computational Intelligence Vol. 5, Eds. A.‑E. Hassanien and A. Abraham, Stud. Comput. Intelligence No. 205,

Springer, Berlin, 2009, pp. 243-315.

 

229. F. Torrens and G. Castellano,

Asymptotic analysis of coagulation–fragmentation equations, in: Carbon Nanotubes: New Research, Ed., A. P. Ottenhouse,

Nova, New York (NY), 2009, pp. 7-16.

 

230. F. Torrens and G. Castellano,

Classification of human immunodeficiency virus inhibitors, in: Health Informatics VII, Ed., A. Delgado-Ramos,

Dirección Nacional de Informática en Salud, Havana (Cuba), 2009, pp. 1-10.

 

231. F. Torrens and G. Castellano,

Cluster nature of the solvent features of C nanohorns, in: Minerals, Metals and Materials CXXXVIII,

TMS, Warrendale (PA), 2009, pp. 1-8.

 

232. F. Torrens and G. Castellano,

Modo simple de construir un sensor óptico de acidez, in: Sensors, Eds. A. M. Costero Nieto, S. Gil Grau and M. Parra Álvarez,

Universitat de València, València (Spain), 2009, Vol. 2., ch. 45, pp. 207-215.

 

233. F. Torrens and G. Castellano,

Protein binding to vesicles: Asymmetric location of phospholipids, in: Topics in Chemistry & Materials Science III, Eds. R. D. Nikolova and G. N. Vayssilov,

Heron, Sofia (Bulgaria), 2009, pp. 72-82.

 

234. F. Torrens and G. Castellano,

Cluster nature of C‑nanohorn solvent features, in: Physics, Chemistry and Application of Nanostructures, Eds. V. E. Borisenko, S. V. Gaponenko and V. S. Gurin,

World Scientific, Singapore (Republic of Singapore), 2009, pp. 112-115.

 

235. F. Torrens and G. Castellano,

In-silico drug design and the molecular classification of local anaesthetics, in: Bioinformatics Italian Society VI, Eds. D. Bordo, F. Masulli, M. Muselli and P. Romano,

Società di Bioinformatica Italiana, Bari (Italy), 2009, pp. 1-2.

 

236. F. Torrens and G. Castellano,

Riesgo de proliferación en el ciclo de combustible nuclear, in: Ingeniería de Residuos II, Eds. N. Molinares, A. Escudero, N. Logreira A. Sisa and M. A. Isaacs,

Universidad del Norte, Barranquilla (Colombia), 2009, pp. 1-1.

 

237. F. Torrens and G. Castellano,

Asymmetric location of anionic phospholipids in vesicles, in: Interdisciplinary Transport Phenomena VI, Ed. S. S. Sadhal,

University of Southern California, Los Angeles (California), 2009, pp. 1-12.

 

238. F. Torrens and G. Castellano,

Exact structure of bacteriophage T4 and infection: Stopping Escherichia coli, in: Synthetic Organic Chemistry XIII, Eds. J. A. Seijas and M. P. Vázquez Tato,

MDPI, Basel (Switzerland), 2009, pp. 1-11.

 

239. J. A. Castillo-Garit, Y. Marrero-Ponce, F. Torrens, R. García-Domenech and J. E. Rodríguez-Borges,

Applications of bond-based 3D-chiral quadratic indices in QSAR studies related to central chirality codification, in: Synthetic Organic Chemistry XIII, Eds. J. A. Seijas and M. P. Vázquez Tato,

MDPI, Basel (Switzerland), 2009, pp. 1-24.

 

240. J. A. Castillo-Garit, J. Escobar, Y. Marrero-Ponce and F. Torrens,

Atom-based quadratic indices to predict aquatic toxicity of benzene derivatives to Tetrahymena pyriformis, in: Synthetic Organic Chemistry XIII, Eds. J. A. Seijas and M. P. Vázquez Tato,

MDPI, Basel (Switzerland), 2009, pp. 1-26.

 

241. F. Torrens and G. Castellano,

Molecular classification of thiocarbamates with cytoprotection activity against anti-human immunodeficiency virus, in: Synthetic Organic Chemistry XIII, Eds. J. A. Seijas and M. P. Vázquez Tato,

MDPI, Basel (Switzerland), 2009, pp. 1-25.

 

242. F. Torrens and G. Castellano,

Fullerite crystal thermodynamic characteristics and the law of corresponding states,

J. Nanosci. Nanotechn., 10, 1208-1222 (2010).

 

243. F. Torrens and G. Castellano,

Cluster nature of the solvent features of single-wall carbon nanohorns,

Int. J. Quantum Chem., 110, 563-570 (2010).

 

244. J. A. Castillo-Garit, M. C. Vega, M. Rolon, Y. Marrero-Ponce, V. V. Kouznetsov, D. F. Amado Torres, A. Gómez-Barrio, A. Alvarez Bello, A. Montero, F. Torrens and F. Pérez-Giménez,

Computational discovery of novel trypanosomicidal drug-like chemicals by using bond-based non‑stochastic and stochastic quadratic maps and linear discriminant analysis,

Eur. J. Pharm. Sci., 39, 30-36 (2010).

 

245. F. Torrens and G. Castellano,

Table of periodic properties of human immunodeficiency virus inhibitors,

Int. J. Comput. Intelligence Bioinf. Syst. Biol., 1, 246-273 (2010).

 

246. A. T. Balaban, A. Dreiding, P. W.  Fowler, I. Gutman, A. Kerber, D. J. Klein, N. S.  Zefirov, A. R. Ashrafi, D. Bieliñska-Wáq, D. Bonchev, J. Cioslowski,  M. V. Diudea, E. Estrada, S. Fujita, V. V. Iliev,  S. KlavΩar, X. Li, B. Liao, W. Linert,  P. G. Mezey, B. Mohar, L. Pogliani, J. Rada, G. Restrepo,  C. Rücker, K. Salem, R. Todeschini, F. Torrens, S. S. Tratch, N. Trinajsti≈, S. Wagner, B. Zhou and B. Furtula, Professor Milan Randi≈ is 80,

MATCH Commun. Math. Comput. Chem., 64, 299-299 (2010).

 

247. Y. Marrero-Ponce, G. M. Casañola-Martín, M. T. H. Khan, F. Torrens, A. Rescigno and C. Abad,

Ligand-based computer-aided discovery of tyrosinase inhibitors. Applications of the TOMOCOMD‑CARDD  method to the elucidation of new compounds,

Curr. Pharm. Des., 16, 2601-2624 (2010).

 

248. Y. Marrero-Ponce, E. R. Martínez-Albelo, G. M. Casañola-Martín, J. A. Castillo-Garit, Y. Echevería-Díaz, V. Romero Zaldivar, J. Tygat, J. E. Rodriguez Borges, R. García-Domenech, F. Torrens and F. Pérez-Giménez,

Bond-based linear indices of the non‑stochastic and stochastic edge-adjacency matrix. 1. Theory and modeling of ChemPhys  properties of organic molecules, Mol. Divers., 14, 731-753 (2010).

 

249. F. Torrens and G. Castellano, Experimental studies for modelling the phase behaviour of monomer/polymer/disc composites, Macromol. Symp., 296, 557-565 (2010).

 

250. H. Le-Thi-Thu, G. Casas Cardoso, G. M. Casañola-Martin, Y. Marrero-Ponce, A. Puris, F. Torrens, A. Rescigno and C. Abad, QSAR models for tyrosinase inhibitory activity description applying modern statistical classification techniques: A comparative study, Chemometr. Intell. Lab. Syst., 104, 249-259 (2010).

 

251. G. M. Casañola-Martin, Y. Marrero-Ponce, M. T. H. Khan, S. B. Khan, F. Torrens, F. Pérez-Jiménez, A. Rescigno and C. Abad, Bond-based 2D quadratic fingerprints in QSAR studies. Virtual and in vitro  tyrosinase inhibitory activity elucidation, Chem. Biol. Drug Des., 76, 538-545 (2010).

 

252. S. E. Ortega-Broche, Y. Marrero-Ponce, Y. E. Díaz, F. Torrens and F. Pérez-Giménez, TOMOCOMD-CAMPS and protein bilinear indices – Novel bio‑macromolecular descriptors for protein research: I. Predicting protein stability effects of a complete set of alanine substitutions in the Arc repressor, FEBS J., 277, 3118-3146 (2010).

 

253. F. Torrens and G. Castellano,

Incorporation of silica nanospheres into epoxy–amine materials: Polymer nanocomposites, in: Encyclopedia of Polymer Composites: Properties, Performance and Applications, Eds., M. Lechkov and S. Prandzheva, Polymer Science and Technology No. 5,

Nova, New York (NY), 2010, chapter 25, pp. 823-844.

 

254. F. Torrens and G. Castellano, Bacteriófago T4: Reconocimiento e infección en E. coli, in: Sensors and Molecular Recognition, Ed., M. T. Pardo, Universidad Politécnica de Valencia, València (Spain), 2010, Vol. 3, pp. 1-8.

 

255. F. Torrens and G. Castellano,

Molecular classification of thiocarbamates: Cytoprotection activity against anti‑human immunodeficiency virus, in: Bioinformatics and Biomedical Engineering IV, Ed. K.‑C. Chou, IEEE, Piscataway (New Jersey), 2010, pp. 1-4.

 

256. F. Torrens and G. Castellano,

Peptide potential energy surfaces and protein folding, in: Computational and Mathematical Methods in Science and Engineering X, Ed., J. Vigo-Aguilar,

Universidad de Salamanca, Salamanca (Spain), 2010, pp. 1-4.

 

257. F. Torrens and G. Castellano,

Solvents/co-solvents of single–wall carbon nanotubes and inclusion complexes, in: Surfaces, Coatings and Nanostructured Materials V, Eds., Ali, N., and Ebothe, J.,

INNOSPACE, Manchester (UK), 2010, pp. 1-3.

 

258. J. A. Castillo-Garit, M. C. Vega, M. Rolon, Y. Marrero-Ponce, V. V. Kouznetsov, D. F. Amado Torres, A. Gómez-Barrio, A. Alvarez Bello, A. Montero, F. Torrens and F. Pérez-Giménez,

Computational discovery of novel trypanosomicidal drug-like chemicals by using bond-based non-stochastic and stochastic quadratic maps and linear discriminant analysis,

in: Synthetic Organic Chemistry XIV, Eds. J. A. Seijas and M. P. Vázquez Tato,

MDPI, Basel (Switzerland), 2010, pp. 1-31.

 

259. F. Torrens and G. Castellano,

Binding of mono, bi and tridomain proteins to zwitterionic and anionic vesicles: Asymmetric location of anionic phospholipids in mixed zwitterionic/anionic vesicles and cooperative binding,

J. Life Sci., 5, 167-181 (2011).

 

260. Y. Marrero-Ponce, A. Huesca Guillén, Y. Echevarria Díaz, F. Torrens Zaragozá and F. Ibarra Velarde,

Novel ligand-based approach to screening of large databases for paramphistomicide lead generation,

Nereis, (3) 9-15 (2011).

 

261. F. Torrens Zaragozá,

Polymer bisphenol-A, the incorporation of silica nanospheres into epoxy–amine materials and polymer nanocomposites,

Nereis, (3) 17-23 (2011).

 

262. H. Le-Thi-Thu, G. M. Casañola-Martín, Y. Marrero-Ponce, A. Rescigno, L. Saso, V. S. Parmar, F. Torrens and C. Abad,

Novel coumarin-based tyrosinase inhibitors discovered by OECD principles-validated QSAR approach from an enlarged, balanced database,

Mol. Divers., 15, 507-520 (2011).

 

263. F. Torrens and G. Castellano,

(Co‑)solvent selection for single-wall carbon nanotubes: Best  solvents, acids, superacids and guest–host inclusion complexes,

Nanoscale, 3, 2494-2510 (2011).

 

264. J. A. Castillo-Garit, M. C. Vega, M. Rolón, Y. Marrero-Ponce, A. Gómez-Barrio, J. A. Escario, A. Alvarez Bello, A. Montero, F. Torrens, F. Pérez-Giménez, V. J. Arán and C. Abad,

Ligand-based discovery of novel trypanosomicidal drug-like compounds: In silico  identification and experimental support,

Eur. J. Med. Chem., 46, 3324-3330 (2011).

 

265. F. Torrens and G. Castellano,

Molecular classification of thiocarbamates with cytoprotection activity against human immunodeficiency virus,

Int. J. Chem. Model., 3, 269-296 (2011).

 

266. A. Dreiding, P. W. Fowler, I. Gutman, A. Kerber, D. J. Klein, N. S. Zefirov, A. R. Ashrafi, M. N. Bereberan-Santos, D. Bieliñska-Wáq, J. Cioslowski, K. C. Das, M. V. Diudea, E. Estrada, S. Fujita, V. V. Iliev, S. KlavΩar, X. Li, B. Liao, W. Linert, B. Liu, P. G. Mezey, B. Mohar, L. Pogliani, J. Rada, C. Rücker, R. Todeschini, F. Torrens, S. S. Tratch, N. Trinajsti≈, S. Wagner and B. Furtula,

Professor Alexandru T. Balaban is 80,

MATCH Commun. Math. Comput. Chem., 66, 3-3 (2011).

 

267. H. Le-Thi-Thu, Y. Marrero-Ponce, G. M. Casañola-Martin, G. Casas Cardoso, M. C. Chávez, M. M. Garcia, C. Morell, F. Torrens and C. Abad,

A comparative study of nonlinear machine learning for the in silico  depiction of tyrosinase inhibitory activity from molecular structure,

Mol. Inf., 30, 527-537 (2011).

 

268. F. Torrens and G. Castellano,

Using chemical structural indicators for periodic classification of local anaesthetics,

Int. J. Chemoinf. Chem. Eng., 1(2), 15-35 (2011).

 

269. F. Torrens and G. Castellano,QSPR studies on amino acids: Application to proteins, in: QSPR–QSAR Studies on Desired Properties for Drug Design, 2010, Ed. E. A. Castro, Research Signpost, Trivandrum (Kerala, India), 2011, pp. 35-62.

 

270. F. Torrens and G. Castellano,

Cooperativity of protein binding to vesicles, in: Software Tools and Algorithms for Biological Systems, Eds. H. R. Arabnia and Q.‑N. Tran, Advances in Experimental Medicine and Biology No. 696,

Springer, New York (NY), 2011, pp. 271-278.

 

271. F. Torrens and G. Castellano,

Biología estructural del virus y de las proteínas de la fibra del bacteriófago, in: Sensors and Molecular Recognition, Eds., A. M. Costero Nieto, S. Gil Grau and M. Parra Álvarez,

Universitat de València, València (Spain), 2011, Vol. 4, pp. 17–1-4.

 

272. F. Torrens and G. Castellano,

Metabolómica: Elucidación de mecanismo de enfermedad, in: Sensors and Molecular Recognition, Ed., M. T. Pardo,

Universidad Politécnica de Valencia, València (Spain), 2011, Vol. 5, pp. 430-438.

 

273. G. Castellano, J. Tena and F. Torrens,

Classification of polyphenolic compounds by chemical structural indicators and its relation to antioxidant properties of Posidonia oceanica  (L.) Delile,

MATCH Commun. Math. Comput. Chem., 67, 231-250 (2012).

 

274. F. Torrens and G. Castellano,

Bundlet  model for single-wall carbon nanotubes, nanocones and nanohorns,

Int. J. Chemoinf. Chem. Eng., 2(1), 48-98 (2012).

 

275. F. Torrens, C. M. Gómez, I. S. Monzó, C. Abad and A. Campos,

Modelling monomer/disc composites phase behaviour,

Macromol. Symp., 311, 49-56 (2012).

 

276. J. A. Castillo Garit, R. García Domenech, Y. Marrero Ponce, F. Torrens Zaragozá and C. Abad Mazarío,

Prediction of the binding affinity of fenoterol derivatives to the b2 adrenergic receptor using atom-based 3D-chiral linear indices,

Nereis, (4), 9-18 (2012).

 

277. J. A. Castillo-Garit, C. Abad, J. E. Rodríguez-Borges, Y. Marrero-Ponce and F. Torrens,

A review of QSAR studies to discover new drug-like compounds actives against Leishmaniasis  and Trypanosomiasis,

Curr. Top. Med. Chem., 12, 852-865 (2012).

 

278. J. A. Castillo-Garit, O. del Toro-Cortés, V. V. Kouznetsov, C. Ochoa Puentes, A. R. Romero Bohórquez, M. C. Vega, M. Rolón, J. A. Escario, A. Gómez-Barrio, Y. Marrero-Ponce, F. Torrens and C. Abad,

Identification in silico  and in vitro  of novel trypanosomicidal drug-like compounds,

Chem. Biol. Drug Des., 80, 38-45 (2012).

 

279. G. M. Casañola-Martín, M. T. H. Khan, H. Le-Thi-Thu, Y. Marrero-Ponce, R. García-Domenech, F. Torrens, A Rescigno and C. Abad,

Retrained classification of tyrosinase inhibitors and in silico  potency estimation by using atom-type linear indices: A powerful tool for speed up the discovery of leads,

Int. J. Chemoinf. Chem. Eng., 2(2), 42-144 (2012).

 

280.  F. Torrens and G. Castellano,

Estimation of partition coefficients of Fe–S protein models: Se substitutions in Fe4S4Cysn,

J. Chem. Chem. Eng., 6, 867-877 (2012).

 

281. F. Torrens and G. Castellano,

QSPR prediction of retention times of phenylurea herbicides by biological plastic evolution,

Curr. Drug Saf., 7, 262-268 (2012).

 

282. Y. Marrero-Ponce, O. Martínez Santiago, Y. Martínez López, S. J. Barigye and F. Torrens,

Derivatives in discrete mathematics: A novel graph-theoretical invariant for generating new 2/3D molecular descriptors. I. Theory and QSPR application,

J. Comput.-Aided Mol. Design, 26, 1229-1246 (2012).

 

283. F. Torrens and G. Castellano,

Molecular diversity classification via  information theory: A review,

ICST Trans. Complex Syst., 12(10-12), e4–1-8 (2012).

 

284. F. Torrens and G. Castellano,

Cluster origin of solvent features of fullerenes, single-wall carbon nanotubes, nanocones, and nanohorns, in: Nanoscience and Advancing Computational Methods in Chemistry: Research Progress, Eds., E. A. Castro and A. K. Haghi,

IGI Global, Hershey (PA), 2012, pp. 1-57.

 

285. F. Torrens and G. Castellano,

Structural classification of complex molecules by artificial intelligence techniques, in: Advanced Methods and Applications in Chemoinformatics: Research Progress and New Applications, Eds., E. A. Castro and A. K. Haghi,

IGI Global, Hershey (PA), 2012, pp. 25-91.

 

286. F. Torrens and G. Castellano,

Proteólisis intracelular y neoplasia: Ubiquitina,

Sensors and Molecular Recognition, Eds., A. M. Costero Nieto, S. Gil Grau and M. Parra Álvarez,

Universitat de València, València (Spain), 2012, Vol. 6, pp. 1-5.

 

287. G. M. Casañola-Martin, H. Le-Thi-Thu, Y. Marrero-Ponce, F. Torrens, A. Rescigno, C. Abad and M. T. H. Khan,

QSAR-based CMs and TOMOCOMD-CARD approach for the discovery of new tyrosinase inhibitor chemicals, in: Recent Trends on QSAR in the Pharmaceutical Perceptions, Ed., M. T. H. Khan, Bentham, Bussum (The Netherlands), 2012, pp. 298-341.

 

288. F. Torrens and G. Castellano,

Structural classification of complex molecules by information entropy and equipartition conjecture, in: Chemical Information and Computational Challenges in 21st Century, Ed., M. V. Putz,

Nova, New York (NY), 2012, pp. 101-139.

 

289. S. J. Barigye, Y. Marrero-Ponce, Y. Martínez López, O. Martínez Santiago, F. Torrens, R. García Demenech and J. Galvez,

Event-based criteria in GT-STAF information indices: Theory, exploratory diversity analysis and QSPR applications,

SAR QSAR Environ. Res., 24, 3-34 (2013).

 

290. S. J. Barigye, Y. Marrero-Ponce, Y. Martínez-López, F. Torrens, L. M. Artiles-Martínez, R. W. Pino-Urias and O. Martínez-Santiago,

Relations frequency hypermatrices in mutual, conditional and joint entropy-based information indices,

J. Comput. Chem., 34, 259-274 (2013).

 

291. Y. Brito-Sánchez, J. A. Castillo-Garit, H. Le-Thi-Thu, Y. González-Madariaga, F. Torrens, Y. Marrero-Ponce and J. E. Rodríguez-Borges,

Comparative study to predict toxic modes of action of phenols from molecular structures,

SAR QSAR Environ. Res., 24, 235-251 (2013).

 

292. F. Torrens and G. Castellano,

Bundlet  model of single-wall carbon, BC2N and BN nanotubes, cones and horns in organic solvents,

J. Nanomater. Mol. Nanotech., 2, 1000107–1-9 (2013).

 

293. F. Torrens Zaragozá,

Molecular categorization of yams by principal component and cluster analyses,

Nereis, (5) 41-51 (2013).

 

294. F. Torrens and G. Castellano,

Valence charge-transfer indices and binding of water-soluble, globular proteins to vesicles,

Asia Pacific J. Life Sci., 5, 89-121 (2013).

 

295. F. Torrens and G. Castellano,

Solvent features of cluster single-wall C, BC2N and BN nanotubes, cones and horns,

Microelectron. Eng., 108, 127-133 (2013).

 

296. S. J. Barigye, Y. Marrero-Ponce, O. Martínez Santiago, Y. Martínez López, F. Pérez-Giménez and F. Torrens,

Shannon’s, mutual, conditional and joint entropy information indices: Generalization of global indices defined from local vertex invariants,

Curr. Comput.-Aided Drug Des., 9, 164-183 (2013).

 

297. F. Torrens and G. Castellano,

Information theoretic entropy for molecular classification: Oxadiazolamines as potential therapeutic agents,

Curr. Comput.-Aided Drug Des., 9, 241-253 (2013).

 

298. F. Torrens and G. Castellano,

Molecular classification of 5‑amino‑2‑aroylquinolines and 4‑aroyl‑6,7,8‑trimethoxyquinolines as highly potent tubulin polymerization inhibitors,

Int. J. Chemoinf. Chem. Eng., 3(2), 1-26 (2013).

 

299. G. Castellano, J. L. González-Santander, A. Lara and F. Torrens,

Classification of flavonoid compounds by using entropy of information theory,

Phytochemistry, 93, 182-191 (2013).

 

300. F. Torrens and G. Castellano,

Corrigendum to: Solvent features of cluster single-wall C, BC2N and BN nanotubes, cones and horns,

Microelectron. Eng., 112, 168-168 (2013).

 

301. F. Torrens and G. Castellano,

C-nanostructures cluster models in organic solvents: Fullerenes, tubes, buds and graphenes,

J. Chem. Chem. Eng., 7, 1026-1035 (2013).

 

302. F. Torrens and G. Castellano,

Bisphenol, diethylstilbestrol, polycarbonate and the thermomechanical properties of epoxy–silica nanostructured composites,

J. Res. Updates Polym. Sci., 2, 183-193 (2013).

 

303. G. M. Casañola-Martín, Y. Marrero-Ponce, H. LeThi-Thu, M. T. H. Khan, F. Torrens, A. Rescigno and C. Abad,

La enzima tirosinasa: 2. Inhibidores de origen natural y sintético,

Afinidad, 70, 270-276 (2013).

 

304. F. Torrens and G. Castellano,

Elementary polarizability of Sc/fullerene/graphene  aggregates and di/graphene–cation interactions,

J. Nanomater. Mol. Nanotech., S1, 001–1-8 (2013).

 

305. F. Torrens,

Asociaciones Moleculares en Azinas y Macrociclos. Aplicación del Potencial Intermolecular de Fraga, Trans. Molecular Associations in Azines and Macrocycles. Application of Fraga’s Intermolecular Potential,

ProQuest, Ann Arbor (Michigan), 2013, 291 pp.

 

306. F. Torrens and G. Castellano,

Complexity, emergence and molecular diversity via  information theory, in: Complexity Science, Living Systems, and Reflexing Interfaces: New Models and Perspectives, Eds., F. Orsucci and N. Sala,

IGI Global, Hershey (PA), 2013, pp. 196-208.

 

307. F. Torrens and G. Castellano,

Molecular classification of thiocarbamates with cytoprotection activity against human immunodeficiency virus, in: Advances in Chemical Modeling, Vol. 3,

Nova, New York (NY), 2013, pp. 323-351.

 

308. F. Torrens and G. Castellano,

Valence charge-transfer indices and binding of lysozyme, myoglobin and albumin to vesicles, in: Lysozymes: Sources, Functions and Role in Disease, Eds. Maang, X. G., and Cheung, W. F.,

Nova, New York (NY), 2013, pp. 95-126.

 

309. J. A. Castillo-Garit. O. del Toro-Cortés, V. V. Kouznetsov, C. Ochoa Puentes, A. R. Romero Bohorquez, M. C. Vega, M. Rolón, J. A. Escario, A. Gómez-Barrio, Y. Marrero-Ponce, F. Torrens and C. Abad,

Identification in silico  and in vitro  of novel trypanosomicidal drug-like compounds, in: Synthetic Organic Chemistry XVI, Eds. J. A. Seijas, M. P. Vázquez Tato and S.‑K. Lin,

MDPI, Basel (Switzerland), 2013, pp. 1-15.

 

310. F. Torrens and G. Castellano,

Fractal dimension of mucoadhesive polymer hyaluronan for pharmaceutical formulations, in: Synthetic Organic Chemistry XVI, Eds. J. A. Seijas, M. P. Vázquez Tato and S.‑K. Lin,

MDPI, Basel (Switzerland), 2013, pp. 1-14.

 

311. F. Torrens and G. Castellano,

Molecular classification, diversity and complexity via  information entropy, in: Chaos and Complex Systems IV, Eds. S. G. Stavrinides, S. Banerjee, H. Caglar and M. Ozer,

Springer, Berlin (Germany), 2013, pp. 1-19.

 

312. F. Torrens and G. Castellano,

Bacteriófagos y endolisinas: Conservantes alimentarios, in: Sensors and Molecular Recognition, Ed., M. T. Pardo,

Universidad Politécnica de Valencia, València (Spain), 2013, Vol. 7, pp. 539-548.

 

313. G. Castellano, A. Lara and F. Torrens,

Classification of stilbenoid compounds by entropy of artificial intelligence,

Phytochemistry, 97, 62-69 (2014).

 

314. F. Torrens Zaragozá,

Classification of lactic acid bacteria against cytokine immune modulation,

Nereis, (6), 27-37 (2014).

 

315. F. Torrens and G. Castellano,

Una nueva herramienta para el estudio de la resonancia en docencia química,

Avances en Ciencias e Ingeniería, 5(1), 81-91 (2014).

 

316. F. Torrens and G. Castellano,

Cluster model expanded to C-nanostructures: Fullerenes, tubes, graphenes and their buds,

Austin J. Nanomed. Nanotech., 2(2), 7–1-7 (2014).

 

317. F. Torrens and G. Castellano,

QSPR prediction of chromatographic retention times of pesticides: Partition and fractal indices,

J. Environ. Sci. Health, Part B, 49, 400-407 (2014).

 

318. F. Torrens and G. Castellano,

A tool for interrogation of macromolecular structure,

J. Mater. Sci. Eng. B, 4(2), 55-63 (2014).

 

319. F. Torrens and G. Castellano,

Molecular classification of pesticides including persistent organic pollutants, phenylurea and sulphonylurea herbicides,

Molecules, 19, 7388-7414 (2014).

 

320. G. M. Casañola-Martín, H. Le-Thi-Thu, Y. Marrero-Ponce, J. A. Castillo-Garit, F. Torrens, A. Rescigno, C. Abad and M. T. H. Khan,

Tyrosinase enzyme: 1. An overview on a pharmacological target,

Curr. Top. Med. Chem., 14, 1494-1501 (2014).

 

321. J. A. Castillo-Garit, Y. Cañizares-Carmenate, Y. Marrero-Ponce, F. Torrens and C. Abad,

Prediction of ADME properties, part 1: Classification models to predict Caco‑2 cell permeability using atom-based bilinear indices,

Afinidad, 71, 129-138 (2014).

 

322.  F. Torrens and G. Castellano,

From Asia to Mediterranean: Soya bean, Spanish legumes and commercial soya bean  principal component, cluster and meta-analyses,

J. Nutr. Food Sci., 4(5), 98-98 (2014).

 

323. F. Torrens and G. Castellano,

Mucoadhesive polymer hyaluronan as biodegradable cationic/zwitterionic-drug delivery vehicle,

ADMET DMPK, 2, 235-247 (2014).

 

324. F. Torrens and G. Castellano,

AIDS destroys immune defences: Hypothesis,

New Front. Chem., 23, 11-20 (2014).

 

325. G. M. Casañola-Martin, H. Le-Thi-Thu, Y. Marrero-Ponce, J. A. Castillo-Garit, F. Torrens, F. Perez-Gimenez and C. Abad,

Analysis of proteasome inhibition prediction using atom-based quadratic indices enhanced by machine learning classification techniques,

Lett. Drug Des. Discov., 11, 705-711 (2014).

 

326. F. Torrens and G. Castellano,

Molecular classification of styrylquinolines as human immunodeficiency virus integrase inhibitors,

Int. J. Chem. Model., 6, 347-376 (2014).

 

327. F. Torrens and G. Castellano,

Cluster solvation models  of carbon nanostructures: Extension to fullerenes, tubes and buds,

J. Mol. Model., 20, 2263–1-9 (2014).

 

328. F. Torrens and G. Castellano,

Molecular clustering of phenylurea herbicides: Comparison with sulphonylureas, pesticides and persistent organic pollutants,

Evolv. Trends Eng. Technol., 1, 29-52 (2014).

 

329. J. C. Garro Martinez, E. G. Vega-Hissi, M. F. Andrada, P. R. Duchowicz, F. Torrens and M. R. Estrada,

Lacosamide derivatives with anticonvulsant activity as carbonic anhydrase inhibitors. Molecular modeling, docking and QSAR analysis,

Curr. Comput.-Aided Drug Des., in press.

 

330. F. Torrens and G. Castellano,

Cluster bundlet  model of single-wall C, BC2N and BN nanotubes, cones and horns, in: Nanoscience and Computational Chemistry: Research Progress, Eds., A. G. Mercader, E. A. Castro and A. K. Haghi,

Apple Academic, Waretown (NJ), 2014, pp. 271-307.

 

331. F. Torrens and G. Castellano,

Determination of binodal curves in ternary polymer systems: Co‑/polymers compatibility. In: New Developments in Polymer Composites Research, Eds. S. Laske and A. Witschnigg,

Nova, New York (NY), 2014, pp. 243-255.

 

332. F. Torrens and G. Castellano,

A new tool for the interrogation of macromolecular structure, in: Synthetic Organic Chemistry XVII, Eds. J. A. Seijas, M. P. Vázquez Tato and S.‑K. Lin,

MDPI, Basel (Switzerland), 2014, pp. 1-16.

 

333. F. Torrens and G. Castellano,

Nanostructures cluster models in solution: Extension to C, BC2N, and BN fullerenes, tubes, and cones, in: Contemporary Advancements in Information Technology Development in Dynamic Environments, Ed., M. Khosrow-Pour,

IGI Global, Hershey (PA), 2014, pp. 221-253.

 

334. F. Torrens and G. Castellano,

Bacterias acidolácticas: Morfología y metabolismo,

Sensors and Molecular Recognition, Eds., A. M. Costero Nieto, S. Gil Grau, M. Parra Álvarez and P. Gaviña Costero,

Universitat de València, València (Spain), 2014, Vol. 8, pp. 34–1-5.

 

335. J. A. Castillo-Garit, O. del Toro-Cortés, M. C. Vega, M. Rolón, A. Rojas de Arias, G. M. Casañola-Martin, J. A. Escario, A. Gómez-Barrio, Y. Marrero-Ponce, F. Torrens and C. Abad,

Bond-based bilinear indices for computational discovery of novel trypanosomicidal drug-like compounds through virtual screening,

Eur. J. Med. Chem., 96, 238-244 (2015).

 

336. F. Torrens and G. Castellano,

Valence-topological charge-transfer indices, dipole, isoelectric point and fractal: From homo/heterocycles to proteins,

Curr. Org. Chem., 19, 205-218 (2015).

 

337. O. Martínez Santiago, Y. Marrero-Ponce, R. Millán Cabrera, S. J. Barigye, Y. Martínez-López, L. M. Artiles Martínez, J. O. Guerra de León, F. Perez-Giménez and F. Torrens,

Extending graph (discrete) derivative descriptors to N‑tuple atom-relations,

MATCH Commun. Math. Comput. Chem., 73, 397-420 (2015).

 

338. F. Torrens Zaragozá,

Classification of fruits proximate and mineral content: Principal component, cluster, meta-analyses,

Nereis, (7), 39-50 (2015).

 

339. G. Castellano and F. Torrens,

Quantitative structure–antioxidant activity models of isoflavonoids: A theoretical study,

Int. J. Mol. Sci., 16, 12891-12906 (2015).

 

340. G. Castellano and F. Torrens,

Information entropy-based classification of triterpenoids and steroids from Ganoderma,

Phytochemistry, 116, 305-313 (2015).

 

341. F. Torrens and G. Castellano,

Computational study of nanosized drug delivery from cyclodextrins, crown ethers and hyaluronan in pharmaceutical formulations,

Curr. Top. Med. Chem., 15, 1901-1913 (2015).

 

342. R. Medina Marrero, Y. Marrero-Ponce, S. J. Barigye, Y. Echeverría Díaz, R. Acevedo-Barrios, G. M. Casañola-Martín,  M. García Bernal, F. Torrens and F. Pérez-Giménez,

QuBiLs-MAS method in early drug discovery and rational drug identification of antifungal agents,

SAR QSAR Environ. Res., 26, 943-958 (2015).

 

343. F. Torrens Zaragozá and G. Castellano Estornell,

Emergence, spread and uncontrolled Ebola outbreak,

Basic Clin. Pharmacol. Toxicol., 117 (Suppl. 2) 38-38 (2015).

 

344. F. Torrens and G. Castellano,

2014 spread/uncontrolled Ebola outbreak,

New Front. Chem., 24, 81-91 (2015).

 

345. F. Torrens and G. Castellano,

Molecular classification of N‑aryloxazolidinone‑5‑carboxamides as human immunodeficiency virus protease inhibitors, in: Emerging Trends in Computational Biology, Bioinformatics, and Systems Biology: Algorithms and Software Tools, Eds. Q. N. Tran and H. Arabnia,

Elsevier, Amsterdam, 2015, pp. 69-97.

 

346. F. Torrens and G. Castellano,

Reflections on the nature of the periodic table of the elements: Implications in chemical education, in: Synthetic Organic Chemistry XVIII, Eds. J. A. Seijas, M. P. Vázquez Tato and S.‑K. Lin,

MDPI, Basel (Switzerland), 2015, pp. 1-15.

 

347. F. Torrens and G. Castellano,

Ideas in the history of nano/miniaturization and (quantum) simulators: Feynman, education and research reorientation in translational science, in: Synthetic Organic Chemistry, Eds. J. A. Seijas and M. P. Vázquez-Tato,

MDPI, Basel (Switzerland), 2015, Vol. 19, pp. 1-16.

 

348.  F. Torrens and G. Castellano,

Reflections on the cultural history of nanominiaturization and quantum simulators (computers), in: Sensors and Molecular Recognition, Eds. N. Laguarda Miro, R. Masot Peris and E. Brun Sánchez,

Universidad Politécnica de Valencia, València (Spain), 2015, Vol. 9, pp. 1–1-7.

 

349. H. Le-Thi-Thu, Y. Cañizares-Carmenate, Y. Marrero-Ponce, F. Torrens and J. A. Castillo-Garit,

Prediction of Caco‑2 cell permeability using bilinear indices and multiple linear regression,

Lett. Drug Des. Discov., 13, 161-169 (2016).

 

350. F. Torrens and G. Castellano,

Ebola virus disease: Questions, ideas, hypotheses and models,

Pharmaceuticals, 9, 14–6-6 (2016).

 

351. F. Torrens,

Meet our Editorial Board Member: Dr. Francisco Torrens,

Curr. Drug Discov. Technol., 13(3), 1-2 (2016).

 

352. F. Torrens Zaragozá,

Classification of food spices by proximate content: Principal component, cluster, meta-analyses,

Nereis, (8), 23-33 (2016).

 

353. A. T. Balaban, P. W. Fowler, I. Gutman, A. Kerber, D. J. Klein, A. R. Ashrafi, M. N. Bereberan-Santos, D. Bieliñska-Wáq, G. Brinkmann, J. Cioslowski, K. C. Das, M. V. Diudea, E. Estrada, S. Fujita, J. L. G. Guirao, M. Goubko, S. KlavΩar, X. Li, W. Linert, B. Mohar, S. Mukwembi, J. L. Palacios, L. Pogliani, M. V. Putz, J. Rada, G. Restrepo, G. Szederkenyi, R. Todeschini, F. Torrens, N. Trinajsti≈, S. Wagner, P. Willett, Y. Zhang and B. Furtula,

Professor Fuji Zhang is 80,

MATCH Commun. Math. Comput. Chem., 76, 531-532 (2016).

 

354. F. Torrens and G. Castellano,

Cluster origin of solvation features of C-nanostructures in organic solvents, in: Advancing Pharmaceutical Processes and Tools for Improved Health Outcomes, Ed., T. M. Gasmelseid,

IGI Global, Hershey (PA), 2016, pp. 189-293.

 

355. F. Torrens and G. Castellano,

Nanominiaturization and quantum computing, in: Sensors and Molecular Recognition, Eds., A. M. Costero Nieto, M. Parra Álvarez, P. Gaviña Costero and S. Gil Grau,

Universitat de València, València (Spain), 2016, Vol. 10, pp. 31–1-5.

 

356. F. Torrens and G. Castellano,

Local anaesthetics classification: Artificial intelligence information entropy, in: Applied Chemistry and Chemical Engineering: Vol. 3 Interdisciplinary Approaches to Theory and Modeling with Applications, Eds., A. K. Haghi, L. Pogliani, F. Torrens, D. Balköse, O. V. Mukbaniani and A. G. Mercader,

Apple Academic–CRC, Waretown (NJ), 2016.

 

357. A. K. Haghi, L. Pogliani, F. Torrens, D. Balköse, O. V. Mukbaniani and A. G. Mercader (Eds.),

Applied Chemistry and Chemical Engineering: Vol. 3 Interdisciplinary Approaches to Theory and Modeling with Applications,

Apple Academic–CRC, Waretown (NJ), 2016.

 

358. F. Torrens and G. Castellano,

Solvents and co‑solvents of single–wall carbon nanotubes: New best  solvents, superacids, nitric acid and guest–host inclusion complexes, in: New Developments and Applications of QSAR-QSPR Theory, Ed., E. A. Castro,

Research Signpost, Trivandrum (Kerala, India), 2016, pp. 1-102.

 

359. F. Torrens and G. Castellano,

Valence-topological charge-transfer indices for dipole moments: Correction for heterocycles, in: Recent Advances on the Theoretical Calculations of Structure and Reactivity of New Heterocyclic Compounds, Ed., E. D. Castro,

Research Signpost, Trivandrum (Kerala, India), 2016, pp. 1-19.

 

360. F. Torrens and G. Castellano,

Graphene  and Fullenene  Clusters: Molecular Polarizability and Ion–Di/Graphene Associations, in: Sustainable Nanosystems Development, Properties, and Applications, M. V. Putz and M. C. Mirica, Eds.,

IGI Global, Hershey (PA), 2017, pp. 569-599.

 

361. F. Torrens and G. Castellano,

Periodic property, in: The Explicative Dictionary of Nanochemistry, Ed., M. V. Putz,

Apple Academic–CRC, Waretown (NJ), 2017.

 

362. F. Torrens and G. Castellano,

Periodic table, in: The Explicative Dictionary of Nanochemistry, Ed., M. V. Putz,

Apple Academic–CRC, Waretown (NJ), 2017.

 

363. F. Torrens and G. Castellano,

Periodic law, in: The Explicative Dictionary of Nanochemistry, Ed., M. V. Putz,

Apple Academic–CRC, Waretown (NJ), 2017.

 

364. F. Torrens and G. Castellano,

Molecular classification, in: The Explicative Dictionary of Nanochemistry, Ed., M. V. Putz,

Apple Academic–CRC, Waretown (NJ), 2017.

 

365. F. Torrens and G. Castellano,

Information entropy, in: The Explicative Dictionary of Nanochemistry, Ed., M. V. Putz,

Apple Academic–CRC, Waretown (NJ), 2017.

 

366. F. Torrens and G. Castellano,

Molecular classification of caffeine, its metabolites and nicotine metabolite, in: Frontiers in Computational Chemistry III, Eds. Z. Ul-Haq and J. D. Madura, Bentham, Hilversum (Holland), 2017.

 

367. A. K. Haghi, A. C. F. Ribeiro, L. Pogliani, D. Balköse, F. Torrens and O. V. Mukbaniani (Eds.),

Applied Chemistry and Chemical Engineering: Vol. 5 Research Methodologies in Modern Chemistry and Applied Sciences,

Apple Academic–CRC, Waretown (NJ), 2017.

 

368. F. Torrens and G. Castellano,

Principal component, cluster and meta-analyses of soya bean, Spanish legumes and commercial soya bean, in: High-Performance Materials and Engineered Chemistry, F. Torrens, D. Balkose and S. Thomas (Eds.),

Apple Academic–CRC, Waretown (NJ), 2017.

 

369. F. Torrens, D. Balkose and S. Thomas (Eds.),

High-Performance Materials and Engineered Chemistry,

Apple Academic–CRC, Waretown (NJ), 2017.

 

370. F. Torrens and G. Castellano,

Reflections on artemisinin, proposed molecular mechanism of bioactivity and resistance, in: Innovations in Physical Chemistry: Vol. 2, A. K. Haghi (Ed.),

Apple Academic–CRC, Waretown (NJ), 2017.

 

371. F. Torrens and G. Castellano,

QSPR prediction of retention times of chlorogenic acids in coffee by bioplastic evolution, in: Quantitative Structure-activity Relationship, Ed., F. Kandemirli,

InTechOpen, Vienna (Austria), 2017.