| 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 |
| Estimation of ADME properties in drug discovery: predicting Caco-2 cell permeability using atom-based stochastic and non-stochastic linear indices JA Castillo-Garit, Y Marrero-Ponce, F Torrens, R García-Domenech Journal of pharmaceutical sciences 97 (5), 1946-1976, 2008 | 108 | 2008 |
| Markovian chemicals" in silico" design (MARCH-INSIDE), a promising approach for computer-aided molecular design I: discovery of anticancer compounds H Gonzáles-Díaz, O Gia, E Uriarte, I Hernádez, R Ramos, M Chaviano, ... Journal of Molecular Modeling 9, 395-407, 2003 | 107 | 2003 |
| 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 | 98 | 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 | 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 | 87 | 2004 |
| Atom-based stochastic and non-stochastic 3D-chiral bilinear indices and their applications to central chirality codification JA Castillo-Garit, Y Marrero-Ponce, F Torrens, R Rotondo Journal of Molecular Graphics and Modelling 26 (1), 32-47, 2007 | 80 | 2007 |
| Predicting antitrichomonal activity: a computational screening using atom-based bilinear indices and experimental proofs Y Marrero-Ponce, A Meneses-Marcel, JA Castillo-Garit, ... Bioorganic & medicinal chemistry 14 (19), 6502-6524, 2006 | 79 | 2006 |
| A novel approach to predict aquatic toxicity from molecular structure JA Castillo-Garit, Y Marrero-Ponce, J Escobar, F Torrens, R Rotondo Chemosphere 73 (3), 415-427, 2008 | 70 | 2008 |
| Linear indices of the ‘macromolecular graph’s nucleotides adjacency matrix’as a promising approach for bioinformatics studies. Part 1: Prediction of paromomycin’s affinity … YM Ponce, JAC Garit, D Nodarse Bioorganic & medicinal chemistry 13 (10), 3397-3404, 2005 | 61 | 2005 |
| 3D-chiral atom, atom-type, and total non-stochastic and stochastic molecular linear indices and their applications to central chirality codification Y Marrero-Ponce, JA Castillo-Garit Journal of computer-aided molecular design 19, 369-383, 2005 | 58 | 2005 |
| Tyrosinase enzyme: 1. An overview on a pharmacological target G M Casanola-Martin, H Le-Thi-Thu, Y Marrero-Ponce, J A Castillo-Garit, ... Current topics in medicinal chemistry 14 (12), 1494-1501, 2014 | 55 | 2014 |
| Atom-based 3D-chiral quadratic indices. Part 2: Prediction of the corticosteroid-binding globulinbinding affinity of the 31 benchmark steroids data set JA Castillo-Garit, Y Marrero-Ponce, F Torrens Bioorganic & medicinal chemistry 14 (7), 2398-2408, 2006 | 55 | 2006 |
| In silico assessment of ADME properties: advances in Caco-2 cell monolayer permeability modeling MÁ Cabrera-Pérez, NH Nam, JA Castillo-Garit, B Rasulev, H Le-Thi-Thu, ... Current Topics in Medicinal Chemistry 18 (26), 2209-2229, 2018 | 43 | 2018 |
| A simple method to predict blood-brain barrier permeability of drug-like compounds using classification trees JA Castillo-Garit, GM Casanola-Martin, H Le-Thi-Thu, SJ Barigye Medicinal Chemistry 13 (7), 664-669, 2017 | 43 | 2017 |
| A review of QSAR studies to discover new drug-like compounds actives against leishmaniasis and trypanosomiasis J Alberto Castillo-Garit, C Abad, J Enrique Rodriguez-Borges, ... Current topics in medicinal chemistry 12 (8), 852-865, 2012 | 42 | 2012 |
| Prediction of acute toxicity of phenol derivatives using multiple linear regression approach for Tetrahymena pyriformis contaminant identification in a median-size database K Dieguez-Santana, H Pham-The, PJ Villegas-Aguilar, H Le-Thi-Thu, ... Chemosphere 165, 434-441, 2016 | 38 | 2016 |
| Computational discovery of novel trypanosomicidal drug-like chemicals by using bond-based non-stochastic and stochastic quadratic maps and linear discriminant analysis JA Castillo-Garit, MC Vega, M Rolon, Y Marrero-Ponce, VV Kouznetsov, ... European journal of pharmaceutical sciences 39 (1-3), 30-36, 2010 | 36 | 2010 |
| An approach to identify new antihypertensive agents using Thermolysin as model: In silico study based on QSARINS and docking Y Canizares-Carmenate, K Mena-Ulecia, Y Perera-Sardiña, F Torrens, ... Arabian Journal of Chemistry 12 (8), 4861-4877, 2019 | 35 | 2019 |
| Ligand-based discovery of novel trypanosomicidal drug-like compounds: in silico identification and experimental support JA Castillo-Garit, MC Vega, M Rolón, Y Marrero-Ponce, A Gómez-Barrio, ... European journal of medicinal chemistry 46 (8), 3324-3330, 2011 | 35 | 2011 |
Yovani Marrero-PonceUniversidad San Francisco de Quito (USFQ), Quito, Ecuador; Fundación Universitaria Tecnológico deDirección de correo verificada de usfq.edu.ec
