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Journal of Chemical Information and Modeling|March 31, 2022
Isometric Stratified Ensembles: A Partial and Incremental Adaptive Applicability Domain and Consensus-Based Classification Strategy for Highly Imbalanced Data Sets with Application to Colloidal AggregationChristophe Molina, Lilia Ait-Ouarab, Hervé MinouxADMET & DMPK|March 18, 2022
ADME prediction with KNIME: <i>In silico</i> aqueous solubility consensus model based on supervised recursive random forest approachesGabriela Falcón-Cano, Christophe Molina, Miguel Ángel Cabrera-PérezADMET & DMPK|March 18, 2022
ADME prediction with KNIME: A retrospective contribution to the second "Solubility Challenge"Gabriela Falcón-Cano, Christophe Molina, Miguel Ángel Cabrera-PérezJournal of Chemical Information and Modeling|May 8, 2020
ADME Prediction with KNIME: Development and Validation of a Publicly Available Workflow for the Prediction of Human Oral BioavailabilityGabriela Falcón-Cano, Christophe Molina, Miguel Ángel Cabrera-PérezPharmaceutics|October 27, 2022
Reliable Prediction of Caco-2 Permeability by Supervised Recursive Machine Learning ApproachesGabriela Falcón-Cano, Christophe Molina, Miguel Ángel Cabrera-PérezScientific Reports|May 4, 2025
hERG toxicity prediction in early drug discovery using extreme gradient boosting and isometric stratified ensemble mappingGabriela Falcón-Cano, Aliuska Morales-Helguera, Heather Lambert, et al.Journal of Chemical Information and Modeling|June 30, 2021
A Novel Automated Framework for QSAR Modeling of Highly Imbalanced <i>Leishmania</i> High-Throughput Screening DataOmar Casanova-Alvarez, Aliuska Morales-Helguera, Miguel Ángel Cabrera-Pérez, et al.Peerj|October 3, 2022
What's the effectiveness of stocking actions in small creeks? The role of water discharge behind hatchery trout downstream movementStefano Brignone, Vanessa De Santis, Tiziano Putelli, et al.Pageof 1