| 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 |
| 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 | 85 | 2007 |
| Prediction of tyrosinase inhibition activity using atom‐based bilinear indices Y Marrero‐Ponce, MTH Khan, GM Casañola Martín, A Ather, ... ChemMedChem: Chemistry Enabling Drug Discovery 2 (4), 449-478, 2007 | 72 | 2007 |
| New tyrosinase inhibitors selected by atomic linear indices-based classification models GM Casañola-Martín, MTH Khan, Y Marrero-Ponce, A Ather, ... Bioorganic & medicinal chemistry letters 16 (2), 324-330, 2006 | 71 | 2006 |
| 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 | 69 | 2014 |
| Ligand-based computer-aided discovery of tyrosinase inhibitors. Applications of the TOMOCOMD-CARDD method to the elucidation of new compounds Y Marrero-Ponce, G M. Casanola-Martin, M Tareq Hassan Khan, ... Current pharmaceutical design 16 (24), 2601-2624, 2010 | 67 | 2010 |
| Bond‐Based 2D Quadratic Fingerprints in QSAR Studies: Virtual and In vitro Tyrosinase Inhibitory Activity Elucidation GM Casañola‐Martin, Y Marrero‐Ponce, MTH Khan, SB Khan, F Torrens, ... Chemical biology & drug design 76 (6), 538-545, 2010 | 60 | 2010 |
| In Silico Assessment of ADME Properties: Advances in Caco-2 Cell Monolayer Permeability Modeling H Pham-The, MÁ Cabrera-Pérez, NH Nam, JA Castillo-Garit, B Rasulev, ... Current topics in medicinal chemistry 18 (26), 2209-2229, 2018 | 51 | 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 | 51 | 2017 |
| 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 | 45 | 2016 |
| Atom-and bond-based 2D TOMOCOMD-CARDD approach and ligand-based virtual screening for the drug discovery of new tyrosinase inhibitors GM Casañola-Martín, Y Marrero-Ponce, M Tareq Hassan Khan, F Torrens, ... Journal of Biomolecular Screening 13 (10), 1014-1024, 2008 | 45 | 2008 |
| Bond-based 2D TOMOCOMD-CARDD approach for drug discovery: aiding decision-making in ‘in silico’ selection of new lead tyrosinase inhibitors Y Marrero-Ponce, MTH Khan, GM Casañola-Martín, A Ather, ... Journal of Computer-Aided Molecular Design 21, 167-188, 2007 | 41 | 2007 |
| Vanilloid Derivatives as Tyrosinase Inhibitors Driven by Virtual Screening‐Based QSAR Models A Rescigno, GM Casañola‐Martin, E Sanjust, P Zucca, Y Marrero‐Ponce Drug testing and analysis 3 (3), 176-181, 2011 | 39 | 2011 |
| Novel coumarin-based tyrosinase inhibitors discovered by OECD principles-validated QSAR approach from an enlarged, balanced database H Le-Thi-Thu, GM Casañola-Martín, Y Marrero-Ponce, A Rescigno, ... Molecular diversity 15, 507-520, 2011 | 38 | 2011 |
| Multi-output model with Box–Jenkins operators of linear indices to predict multi-target inhibitors of ubiquitin–proteasome pathway GM Casañola-Martin, H Le-Thi-Thu, F Pérez-Giménez, Y Marrero-Ponce, ... Molecular Diversity 19, 347-356, 2015 | 35 | 2015 |
| Atom-based non-stochastic and stochastic bilinear indices: Application to QSPR/QSAR studies of organic compounds JA Castillo-Garit, O Martinez-Santiago, Y Marrero-Ponce, ... Chemical Physics Letters 464 (1-3), 107-112, 2008 | 34 | 2008 |
| QuBiLs-MAS method in early drug discovery and rational drug identification of antifungal agents R Medina Marrero, Y Marrero-Ponce, SJ Barigye, Y Echeverria Diaz, ... SAR and QSAR in Environmental Research 26 (11), 943-958, 2015 | 32 | 2015 |
| Bond-based bilinear indices for computational discovery of novel trypanosomicidal drug-like compounds through virtual screening JA Castillo-Garit, O del Toro-Cortés, MC Vega, M Rolón, AR de Arias, ... European journal of medicinal chemistry 96, 238-244, 2015 | 31 | 2015 |
| Machine learning-based models to predict modes of toxic action of phenols to Tetrahymena pyriformis, JA Castillo-Garit, GM Casañola-Martin, SJ Barigye, ... SAR QSAR Environ. Res 28 (9), 735-747, 2017 | 29* | 2017 |
| Bond-based linear indices of the non-stochastic and stochastic edge-adjacency matrix. 1. Theory and modeling of ChemPhys properties of organic molecules Y Marrero-Ponce, ER Martínez-Albelo, GM Casañola-Martín, ... Molecular diversity 14, 731-753, 2010 | 28 | 2010 |
Yovani Marrero-PonceUniversidad Panamericana (UP), Mexico; Universidad San Francisco de Quito (USFQ), Quito, EcuadorVerified email at usfq.edu.ec
