Prediction of elongation at break for linear polymers D Palomba, GE Vazquez, MF Díaz Chemometrics and Intelligent Laboratory Systems 139, 121-131, 2014 | 75 | 2014 |
QSAR Classification models for predicting the activity of inhibitors of beta-secretase (BACE1) associated with Alzheimer’s disease I Ponzoni, V Sebastián-Pérez, MJ Martínez, C Roca, C De la Cruz Pérez, ... Scientific reports 9 (1), 9102, 2019 | 67 | 2019 |
Evaluation of different approaches for missing data imputation on features associated to genomic data BO Petrazzini, H Naya, F Lopez-Bello, G Vazquez, L Spangenberg BioData mining 14, 1-13, 2021 | 66 | 2021 |
Multi‐objective feature selection in QSAR using a machine learning approach AJ Soto, RL Cecchini, GE Vazquez, I Ponzoni QSAR & Combinatorial Science 28 (11‐12), 1509-1523, 2009 | 62 | 2009 |
Visual analytics in cheminformatics: user-supervised descriptor selection for QSAR methods MJ Martínez, I Ponzoni, MF Díaz, GE Vazquez, AJ Soto Journal of cheminformatics 7, 1-17, 2015 | 40 | 2015 |
Target‐Driven Subspace Mapping Methods and Their Applicability Domain Estimation AJ Soto, GE Vazquez, M Strickert, I Ponzoni Molecular informatics 30 (9), 779-789, 2011 | 25 | 2011 |
Feature learning applied to the estimation of tensile strength at break in polymeric material design C Fiorella, MM Jimena, V Gustavo, MF Díaz, P Ignacio Journal of integrative bioinformatics 13 (2), 15-29, 2016 | 24 | 2016 |
Novel descriptors from main and side chains of high-molecular-weight polymers applied to prediction of glass transition temperatures D Palomba, GE Vazquez, MF Díaz Journal of Molecular Graphics and Modelling 38, 137-147, 2012 | 23 | 2012 |
A wrapper-based feature selection method for ADMET prediction using evolutionary computing AJ Soto, RL Cecchini, GE Vazquez, I Ponzoni Evolutionary Computation, Machine Learning and Data Mining in Bioinformatics …, 2008 | 23 | 2008 |
Reduced set of virulence genes allows high accuracy prediction of bacterial pathogenicity in humans G Iraola, G Vazquez, L Spangenberg, H Naya Public Library of Science 7 (8), e42144, 2012 | 20 | 2012 |
ModGen: a model generator for instrumentation analysis GE Vazquez, I Ponzoni, MC Sánchez, NB Brignole Advances in Engineering Software 32 (1), 37-48, 2001 | 18 | 2001 |
QSPR Models for Predicting Log Pliver Values for Volatile Organic Compounds Combining Statistical Methods and Domain Knowledge D Palomba, MJ Martínez, I Ponzoni, MF Díaz, GE Vazquez, AJ Soto Molecules 17 (12), 14937-14953, 2012 | 17 | 2012 |
Adaptive matrix distances aiming at optimum regression subspaces. M Strickert, AJ Soto, GE Vazquez, M Verleysen ESANN, 2010 | 16 | 2010 |
Feature Selection for Polymer Informatics: Evaluating Scalability and Robustness of the FS4RVDD Algorithm Using Synthetic Polydisperse Data Sets F Cravero, SA Schustik, MJ Martínez, GE Vázquez, MF Díaz, I Ponzoni Journal of chemical information and modeling 60 (2), 592-603, 2019 | 12 | 2019 |
Análisis Numérico De Diferentes Criterios De Similitud En Algoritmos De Clustering. AJ Soto, I Ponzoni, GE Vazquez Mecánica Computacional, 993-1012, 2006 | 9 | 2006 |
DELPHOS: computational tool for selection of relevant descriptor subsets in ADMET prediction AJ Soto, MJ Martínez, RL Cecchini, GE Vazquez, I Ponzoni 1st International Meeting of Pharmaceutical Sciences, 2010 | 8 | 2010 |
The software architecture of a decision support system for process plant instrumentation GE Vazquez, SJ Ferraro, JA Carballido, I Ponzoni, MC Sanchez, ... World Scientific and Engineering Academy and Society, 2003 | 8 | 2003 |
Segregating confident predictions of chemicals’ properties for virtual screening of drugs AJ Soto, I Ponzoni, GE Vazquez International Work-Conference on Artificial Neural Networks, 1005-1012, 2009 | 6 | 2009 |
Prediction of tensile strength at break for linear polymers applied to new materials development D Palomba, F Cravero, GE Vazquez, MF Diaz Proceeding of the International Congress of Metallurgy and Materials-Sam …, 2014 | 5 | 2014 |
An evolutionary approach for feature selection applied to ADMET prediction AJ Soto, RL Cecchini, GE Vazquez, I Ponzoni Inteligencia Artificial. Revista Iberoamericana de Inteligencia Artificial …, 2008 | 5 | 2008 |