Yovani Marrero-Ponce
Yovani Marrero-Ponce
Universidad San Francisco de Quito (USFQ), Quito, Ecuador; Fundación Universitaria Tecnológico de
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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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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Artículos 1–20