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Gerardo M. Casanola-Martin
Gerardo M. Casanola-Martin
Department of Coating and Polymer Materials, North Dakota State University, Fargo, ND, United States
Verified email at ndsu.edu
Title
Cited by
Cited by
Year
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
1122007
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
802007
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
712007
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
672006
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
662010
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
582010
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
542014
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
422017
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
422008
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
402018
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
392007
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
382016
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
382011
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
352011
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
352008
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
312015
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
302015
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
302015
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
282010
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
26*2017
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