F
Francisco Torrens
Researcher at University of Valencia
Publications - 199
Citations - 2944
Francisco Torrens is an academic researcher from University of Valencia. The author has contributed to research in topics: Quantitative structure–activity relationship & Cluster (physics). The author has an hindex of 26, co-authored 194 publications receiving 2796 citations.
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Proceedings ArticleDOI
Vectorized TOPO program for the theoretical simulation of molecular shape
TL;DR: The TOPO program for theoretical simulation of molecular shape is presented here and an atom-atom analysis of all descriptors has been implemented for the realization of high-performance computing.
Journal ArticleDOI
Information entropy-based classification of triterpenoids and steroids from Ganoderma
TL;DR: A set of 71 triterpenoid and steroid compounds from Ganoderma were periodically classified using a procedure based on information entropy with artificial intelligence, related to the experimental bioactivity and antioxidant potency data that are available in the literature.
Journal ArticleDOI
Derivatives in discrete mathematics: a novel graph-theoretical invariant for generating new 2/3D molecular descriptors. I. Theory and QSPR application
Yovani Marrero-Ponce,Yovani Marrero-Ponce,Oscar Martínez Santiago,Yoan Martínez López,Stephen J. Barigye,Francisco Torrens +5 more
TL;DR: It has been demonstrated to that the proposed MDs are useful in molecular design and permit obtaining easier and robust mathematical models than the majority of those reported in the literature.
Journal ArticleDOI
Bond-based bilinear indices for computational discovery of novel trypanosomicidal drug-like compounds through virtual screening
Juan A. Castillo-Garit,Oremia del Toro-Cortés,Maria Celeste Vega,Miriam Rolón,Antonieta Rojas de Arias,Gerardo M. Casañola-Martin,José Antonio Escario,Alicia Gómez-Barrio,Yovani Marrero-Ponce,Francisco Torrens,Concepción Abad +10 more
TL;DR: Two-dimensional bond-based bilinear indices and linear discriminant analysis are used to perform a quantitative structure-activity relationship study to identify new trypanosomicidal compounds and show a good agreement between theoretical predictions and experimental results.
Journal ArticleDOI
Interacting induced dipoles polarization model for molecular polarizabilities: application to benzothiazole (A)-benzobisthiazole (B) oligomers AB13A
TL;DR: In this paper, a method for the calculation of atomic net charges and molecular dipole-dipole, α, dipole quadrupole, A, and quadrapole-quadrupole, C, polarizabilities which have successfully applied to benzothiazole (A)-benzobisthiazole(B) oligomers in the series AB1-A to A�B13-A, and the results have been extrapolated to give predictions for polybenzophiazole.