Eduardo A Castro
Eduardo A Castro
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Large order perturbation theory and summation methods in quantum mechanics
GA Arteca, FM Fernández, EA Castro
Large Order Perturbation Theory and Summation Methods in Quantum Mechanics, 1-4, 1990
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 …
Y Marrero-Ponce, JA Castillo-Garit, E Olazabal, HS Serrano, A Morales, ...
Bioorganic & medicinal chemistry 13 (4), 1005-1020, 2005
3D-Chiral quadratic indices of the ‘molecular pseudograph’s atom adjacency matrix’and their application to central chirality codification: classification of ACE inhibitors and …
YM Ponce, HG Dı́az, VR Zaldivar, F Torrens, EA Castro
Bioorganic & medicinal chemistry 12 (20), 5331-5342, 2004
Alternative algorithm for the search of an optimal set of descriptors in QSAR-QSPR studies
PR Duchowicz, EA Castro, FM Fernández
MATCH Commun. Math. Comput. Chem 55, 179-192, 2006
A new search algorithm for QSPR/QSAR theories: Normal boiling points of some organic molecules
PR Duchowicz, EA Castro, FM Fernández, MP Gonzalez
Chemical Physics Letters 412 (4-6), 376-380, 2005
Self-diffusion of spherical Brownian particles with hard-core interaction
S Hanna, W Hess, R Klein
Physica A: Statistical Mechanics and its Applications 111 (1-2), 181-199, 1982
Topological and NBO analysis of hydrogen bonding interactions involving C–H⋯ O bonds
GL Sosa, NM Peruchena, RH Contreras, EA Castro
Journal of Molecular structure: THEOCHEM 577 (2-3), 219-228, 2002
New QSPR study for the prediction of aqueous solubility of drug-like compounds
PR Duchowicz, A Talevi, LE Bruno-Blanch, EA Castro
Bioorganic & medicinal chemistry 16 (17), 7944-7955, 2008
QSAR for non-nucleoside inhibitors of HIV-1 reverse transcriptase
PR Duchowicz, M Fernández, J Caballero, EA Castro, FM Fernández
Bioorganic & medicinal chemistry 14 (17), 5876-5889, 2006
Quantitative structure–activity relationship to predict differential inhibition of aldose reductase by flavonoid compounds
M Fernández, J Caballero, AM Helguera, EA Castro, MP González
Bioorganic & medicinal chemistry 13 (9), 3269-3277, 2005
Atom, atom-type, and total linear indices of the “molecular pseudograph’s atom adjacency matrix”: application to QSPR/QSAR studies of organic compounds
YM Ponce, JAC Garit, F Torrens, VR Zaldivar, EA Castro
Molecules 9 (12), 1100-1123, 2004
Atom, atom-type, and total nonstochastic and stochastic quadratic fingerprints: a promising approach for modeling of antibacterial activity
Y Marrero-Ponce, R Medina-Marrero, F Torrens, Y Martinez, ...
Bioorganic & medicinal chemistry 13 (8), 2881-2899, 2005
Hypervirial theorems
FM Fernández, EA Castro
Springer Science & Business Media, 2012
Algebraic methods in quantum chemistry and physics
FM Fernández, EA Castro
CRC Press, 1995
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 …
Y Marrero-Ponce, JA Castillo-Garit, E Olazabal, HS Serrano, A Morales, ...
Journal of computer-aided molecular design 18 (10), 615-634, 2004
Protein linear indices of the ‘macromolecular pseudograph α-carbon atom adjacency matrix’in bioinformatics. Part 1: Prediction of protein stability effects of a complete set of …
Y Marrero-Ponce, R Medina-Marrero, JA Castillo-Garit, ...
Bioorganic & medicinal chemistry 13 (8), 3003-3015, 2005
Modified and enhanced replacement method for the selection of molecular descriptors in QSAR and QSPR theories
AG Mercader, PR Duchowicz, FM Fernández, EA Castro
Chemometrics and Intelligent Laboratory Systems 92 (2), 138-144, 2008
QSAR on aryl-piperazine derivatives with activity on malaria
E Ibezim, PR Duchowicz, EV Ortiz, EA Castro
Chemometrics and Intelligent Laboratory Systems 110 (1), 81-88, 2012
QSAR treatment on a new class of triphenylmethyl-containing compounds as potent anticancer agents
LMA Mullen, PR Duchowicz, EA Castro
Chemometrics and Intelligent Laboratory Systems 107 (2), 269-275, 2011
Application of the replacement method as a novel variable selection strategy in QSAR. 1. Carcinogenic potential
AH Morales, PR Duchowicz, MÁC Pérez, EA Castro, MNDS Cordeiro, ...
Chemometrics and intelligent laboratory systems 81 (2), 180-187, 2006
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