| Large order perturbation theory and summation methods in quantum mechanics GA Arteca, FM Fernández, EA Castro, GA Arteca, FM Fernández, ... Large Order Perturbation Theory and Summation Methods in Quantum Mechanics, 1-4, 1990 | 152 | 1990 |
| 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 | 141 | 2006 |
| Stability of quinoa flour proteins (Chenopodium quinoa Willd.) during storage L Abugoch, E Castro, C Tapia, MC Añón, P Gajardo, A Villarroel International journal of food science & technology 44 (10), 2013-2020, 2009 | 140 | 2009 |
| 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 | 130 | 2005 |
| 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 | 128 | 2005 |
| 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 | 127 | 2002 |
| 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 | 126 | 2004 |
| 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 | 121 | 2008 |
| Algebraic methods in quantum chemistry and physics FM Fernández, EA Castro CRC Press, 2020 | 107 | 2020 |
| 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 | 105 | 2005 |
| 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 | 103 | 2006 |
| 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 | 102 | 2005 |
| Hypervirial theorems FM Fernández, EA Castro Springer Science & Business Media, 2012 | 100 | 2012 |
| 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 | 100 | 2012 |
| 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 | 100 | 2004 |
| 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 | 99 | 2008 |
| 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 | 90 | 2005 |
| 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, 615-634, 2004 | 88 | 2004 |
| Replacement method and enhanced replacement method versus the genetic algorithm approach for the selection of molecular descriptors in QSPR/QSAR theories AG Mercader, PR Duchowicz, FM Fernández, EA Castro Journal of chemical information and modeling 50 (9), 1542-1548, 2010 | 86 | 2010 |
| Spectroscopic study of solvent effects on the electronic absorption spectra of flavone and 7-hydroxyflavone in neat and binary solvent mixtures MI Sancho, MC Almandoz, SE Blanco, EA Castro International journal of molecular sciences 12 (12), 8895-8912, 2011 | 82 | 2011 |
