| Linear indices of the “molecular pseudograph's atom adjacency matrix”: definition, significance-interpretation, and application to QSAR analysis of flavone derivatives as HIV-1 … Y Marrero-Ponce Journal of chemical information and computer sciences 44 (6), 2010-2026, 2004 | 134 | 2004 |
| 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 | 131 | 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 | 126 | 2004 |
| Total and Local Quadratic Indices of the Molecular Pseudograph’s Atom Adjacency Matrix: Applications to the Prediction of Physical Properties of Organic Compounds Y Marrero-Ponce Molecules 8, 687-726, 2003 | 115 | 2003 |
| TOMOCOMD-CARDD descriptors-based virtual screening of tyrosinase inhibitors: evaluation of different classification model combinations using bond-based linear indices GM Casañola-Martín, Y Marrero-Ponce, MTH Khan, A Ather, S Sultan, ... Bioorganic & medicinal chemistry 15 (3), 1483-1503, 2007 | 113 | 2007 |
| 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 |
| Ligand-based virtual screening and in silico design of new antimalarial compounds using nonstochastic and stochastic total and atom-type quadratic maps Y Marrero-Ponce, M Iyarreta-Veitía, A Montero-Torres, C Romero-Zaldivar, ... Journal of chemical information and modeling 45 (4), 1082-1100, 2005 | 107 | 2005 |
| 3D-MEDNEs: An Alternative “In Silico” Technique for Chemical Research in Toxicology. 1. Prediction of Chemically Induced Agranulocytosis. H González-Díaz, Y Marrero-Ponce, I Hernández, I Bastida, E Tenorio, ... Chem. Res. Toxicol. 16, 1318-1327, 2003 | 105 | 2003 |
| Total and local (atom and atom type) molecular quadratic indices: significance interpretation, comparison to other molecular descriptors, and QSPR/QSAR applications YM Ponce Bioorganic & medicinal chemistry 12 (24), 6351-6369, 2004 | 104 | 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 | 103 | 2005 |
| A New Topological Descriptors Based Model for Predicting Intestinal Epithelial Transport of Drugs in Caco-2 Cell Culture. Y Marrero-Ponce, MA Cabrera, V Romero, DH González, F Torrens J. Pharm. Pharm. Sci. 7, 186-199, 2004 | 102 | 2004 |
| 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 |
| Activity of a Hydroxybibenzyl Bryophyte Constituent Against Leishmania spp. and Trypanosoma cruzi: In Silico, In Vitro and In Vivo Activity Studies. V Roldos, H Nakayama, M Rolón, A Montero-Torres, F Trucco, S Torres, ... Eur. J. Med. Chem. 43, 1797-1807, 2008 | 96 | 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 |
| A linear discrimination analysis based virtual screening of trichomonacidal lead-like compounds: outcomes of in silico studies supported by experimental results A Meneses-Marcel, Y Marrero-Ponce, Y Machado-Tugores, ... Bioorganic & medicinal chemistry letters 15 (17), 3838-3843, 2005 | 89 | 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 |
| Non-stochastic and stochastic linear indices of the ‘molecular pseudograph’s atom adjacency matrix’: application to ‘in silico’studies for the rational discovery of new … YM Ponce, A Montero-Torres, CR Zaldivar, MI Veitía, MM Peréz, ... Bioorganic & medicinal chemistry 13 (4), 1293-1304, 2005 | 87 | 2005 |
| ProtDCal: A program to compute general-purpose-numerical descriptors for sequences and 3D-structures of proteins YB Ruiz-Blanco, W Paz, J Green, Y Marrero-Ponce BMC bioinformatics 16, 1-15, 2015 | 82 | 2015 |
| Dragon method for finding novel tyrosinase inhibitors: Biosilico identification and experimental in vitro assays GM Casañola-Martín, Y Marrero-Ponce, MTH Khan, A Ather, KM Khan, ... European journal of medicinal chemistry 42 (11-12), 1370-1381, 2007 | 81 | 2007 |
| 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 |
Juan A. Castillo-GaritInstituto Universitario de Investigación y Desarrollo, Universidad Tecnológica Metropolitana, ChileEmail verificata su utem.cl
