Derechos | Preview | Fecha Public. | Título | Autor(es) | Tipo |
openAccess | | 2023 | Deep learning for novel drug development | Naveiro Flores, Roi; Martínez, María J.; Soto, Axel J.; Ponzoni, Ignacio; Ríos-Insua, David; Campillo, Nuria E. CSIC ORCID | capítulo de libro |
openAccess | | 2023 | Design of new dispersants using machine learning and visual analytics | Martínez, María Jimena; Naveiro Flores, Roi; Soto, Axel J.; Talavante, Pablo; Kim Lee, Shin-Ho; Gómez Arrayas, Ramón; Franco, Mario; Mauleón, Pablo; Lozano Ordóñez, Héctor; Revilla López, Guillermo; Bernabei, Marco; Campillo, Nuria E. CSIC ORCID ; Ponzoni, Ignacio | artículo |
embargoedAccess | | 26-jul-2023 | Explainable artificial intelligence: A taxonomy and guidelines for its application to drug discovery | Ponzoni, Ignacio; Páez, Juan A. CSIC ORCID; Campillo, Nuria E. CSIC ORCID | artículo |
closedAccess | | 2009 | How to improve the model partitioning in a DSS for instrumentation design | Domancich, Alejandro O.; Durante, Marcelo; Ferraro, Sebastián; Hoch,Patricia; Brignole, Nélida B.; Ponzoni, Ignacio | artículo |
openAccess | | 25-may-2017 | Hybridizing feature selection and feature learning approaches in QSAR modeling for drug discovery | Ponzoni, Ignacio; Sebastián-Pérez, Víctor; Requena-Triguero, Carlos CSIC ORCID; Roca, Carlos CSIC ORCID; Páez, Juan A. CSIC ORCID; Campillo, Nuria E. CSIC ORCID | artículo |
openAccess | | 6-sep-2022 | Multitask deep neural networks for ames mutagenicity prediction | Martínez, María Jimena; Sabando, María Virginia; Soto, Axel J.; Roca, Carlos CSIC ORCID; Requena-Triguero, Carlos CSIC ORCID; Campillo, Nuria E. CSIC ORCID ; Páez, Juan A. CSIC ORCID; Ponzoni, Ignacio | artículo |
openAccess | | 24-jun-2019 | QSAR classification models for predicting the activity of inhibitors of beta-secretase (BACE1) associated with Alzheimer's disease | Ponzoni, Ignacio; Sebastián-Pérez, Víctor; Martínez, María J.; Roca, Carlos CSIC ORCID; de la Cruz Pérez, Carlos; Cravero, Fiorella; Vazquez, Gustavo Esteban; Páez, Juan A. CSIC ORCID; Díaz, Mónica Fátima; Campillo, Nuria E. CSIC ORCID | artículo |
openAccess | | 2019 | QSAR modelling for drug discovery: Predicting the activity of LRRK2 inhibitors for Parkinson’s disease using cheminformatics approaches | Sebastián-Pérez, Víctor; Martínez, María J.; Gil, Carmen CSIC ORCID ; Campillo, Nuria E. CSIC ORCID ; Martínez Gil, Ana CSIC ORCID ; Ponzoni, Ignacio | capítulo de libro |
openAccess | | 14-feb-2019 | QSAR modelling to identify LRRK2 inhibitors for Parkinson’s disease | Sebastián-Pérez, Víctor; Martínez, María Jimena; Gil, Carmen CSIC ORCID ; Campillo, Nuria E. CSIC ORCID ; Martínez Gil, Ana CSIC ORCID ; Ponzoni, Ignacio | artículo |