Neural network and deep-learning algorithms used in QSAR studies: merits and drawbacks F Ghasemi, A Mehridehnavi, A Pérez-Garrido, H Pérez-Sánchez
Drug discovery today 23 (10), 1784-1790, 2018
208 2018 Combining QSAR classification models for predictive modeling of human monoamine oxidase inhibitors AM Helguera, A Pérez-Garrido, A Gaspar, J Reis, F Cagide, D Vina, ...
European journal of medicinal chemistry 59, 75-90, 2013
73 2013 Adherence to the “Mediterranean diet” in Spain and its relationship with cardiovascular risk (DIMERICA study) J Abellan Aleman, MP Zafrilla Rentero, S Montoro-García, J Mulero, ...
Nutrients 8 (11), 680, 2016
69 2016 Selective in vitro and in silico butyrylcholinesterase inhibitory activity of diterpenes and rosmarinic acid isolated from Perovskia atriplicifolia Benth. and Salvia glutinosa L. FS Senol, S Ślusarczyk, A Matkowski, A Pérez-Garrido, ...
Phytochemistry 133, 33-44, 2017
68 2017 Two new parameters based on distances in a receiver operating characteristic chart for the selection of classification models A Pérez-Garrido, AM Helguera, F Borges, MNDS Cordeiro, V Rivero, ...
Journal of chemical information and modeling 51 (10), 2746-2759, 2011
61 2011 Thorough characterization and stability of HP‐β ‐cyclodextrin thymol inclusion complexes prepared by microwave technology: A required approach to a successful … MI Rodríguez‐López, MT Mercader‐Ros, S López‐Miranda, JA Pellicer, ...
Journal of the Science of Food and Agriculture 99 (3), 1322-1333, 2019
34 2019 QSAR models to predict mutagenicity of acrylates, methacrylates and α, β-unsaturated carbonyl compounds A Pérez-Garrido, AM Helguera, FG Rodríguez, MNDS Cordeiro
dental materials 26 (5), 397-415, 2010
34 2010 QSPR modelling with the topological substructural molecular design approach: β-cyclodextrin complexation A Pérez-Garrido, AM Helguera, MNDS Cordeiro, AG Escudero
Journal of pharmaceutical sciences 98 (12), 4557-4576, 2009
32 2009 A topological substructural molecular design approach for predicting mutagenesis end-points of α, β-unsaturated carbonyl compounds A Pérez-Garrido, AM Helguera, GC López, MNDS Cordeiro, AG Escudero
Toxicology 268 (1-2), 64-77, 2010
30 2010 Comprehensive characterization of linalool-HP-β-cyclodextrin inclusion complexes MI Rodríguez-López, MT Mercader-Ros, C Lucas-Abellán, JA Pellicer, ...
Molecules 25 (21), 5069, 2020
28 2020 Convenient QSAR model for predicting the complexation of structurally diverse compounds with β-cyclodextrins A Pérez-Garrido, AM Helguera, AA Guillén, MNDS Cordeiro, ...
Bioorganic & medicinal chemistry 17 (2), 896-904, 2009
28 2009 Topological sub-structural molecular design approach: Radical scavenging activity A Pérez-Garrido, AM Helguera, JMM Ruiz, PZ Rentero
European journal of medicinal chemistry 49, 86-94, 2012
24 2012 Advances in distributed computing with modern drug discovery AJ Banegas-Luna, B Imbernon, A Llanes Castro, A Perez-Garrido, ...
Expert opinion on drug discovery 14 (1), 9-22, 2019
18 2019 Halogenated derivatives QSAR model using spectral moments to predict haloacetic acids (HAA) mutagenicity A Pérez-Garrido, MP González, AG Escudero
Bioorganic & medicinal chemistry 16 (10), 5720-5732, 2008
17 2008 Predicción de solubilidad de fármacos usando máquinas de soporte vectorial sobre unidades de procesamiento gráfico G Cano, J García-Rodríguez, S Orts, A García-García, J Peña-García, ...
Revista Internacional de Métodos Numéricos para Cálculo y Diseño en …, 2017
9 2017 Fuzzy clustering as rational partition method for QSAR A Pérez-Garrido, F Girón-Rodríguez, A Bueno-Crespo, J Soto, ...
Chemometrics and Intelligent Laboratory Systems 166, 1-6, 2017
7 2017 Improving Activity Prediction of Adenosine A2B Receptor Antagonists by Nonlinear Models F Ghasemi, A Mehri, J Peña-García, H den-Haan, A Pérez-Garrido, ...
Bioinformatics and Biomedical Engineering: Third International Conference …, 2015
7 2015 Latest QSAR study of adenosine A receptor affinity of xanthines and deazaxanthines A Pérez-Garrido, V Rivero-Buceta, G Cano, S Kumar, H Pérez-Sánchez, ...
Molecular diversity 19, 975-989, 2015
6 2015 Topological structural alerts modulations of mammalian cell mutagenicity for halogenated derivatives A Pérez-Garrido, F Girón-Rodríguez, A Morales Helguera, F Borges, ...
SAR and QSAR in Environmental Research 25 (1), 17-33, 2014
6 2014 Combined structure and ligand-based design of selective acetylcholinesterase inhibitors H Perez-Sanchez, H den Haan, A Pérez-Garrido, J Peña-García, ...
Journal of Chemical Information and Modeling 61 (1), 467-480, 2020
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