Publications by authors named "Christophe Molina"

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hERG toxicity prediction in early drug discovery using extreme gradient boosting and isometric stratified ensemble mapping.
Gabriela Falcón-Cano, Aliuska Morales-Helguera, Heather Lambert, Miguel-Ángel Cabrera-Pérez, Christophe Molina

Sci Rep· May 2025

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What's the effectiveness of stocking actions in small creeks? The role of water discharge behind hatchery trout downstream movement.
Stefano Brignone, Vanessa De Santis, Tiziano Putelli, Christophe Molina, Armando Piccinini

PeerJ· January 2023

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Reliable Prediction of Caco-2 Permeability by Supervised Recursive Machine Learning Approaches.
Gabriela Falcón-Cano, Christophe Molina, Miguel Ángel Cabrera-Pérez

Pharmaceutics· September 2022

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Isometric Stratified Ensembles: A Partial and Incremental Adaptive Applicability Domain and Consensus-Based Classification Strategy for Highly Imbalanced Data Sets with Application to Colloidal Aggregation.
Christophe Molina, Lilia Ait-Ouarab, Hervé Minoux

J Chem Inf Model· April 2022

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A Novel Automated Framework for QSAR Modeling of Highly Imbalanced High-Throughput Screening Data.
Omar Casanova-Alvarez, Aliuska Morales-Helguera, Miguel Ángel Cabrera-Pérez, Reinaldo Molina-Ruiz, Christophe Molina

J Chem Inf Model· July 2021

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ADME prediction with KNIME: A retrospective contribution to the second "Solubility Challenge".
Gabriela Falcón-Cano, Christophe Molina, Miguel Ángel Cabrera-Pérez

ADMET DMPK· July 2021

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ADME prediction with KNIME: aqueous solubility consensus model based on supervised recursive random forest approaches.
Gabriela Falcón-Cano, Christophe Molina, Miguel Ángel Cabrera-Pérez

ADMET DMPK· August 2020

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ADME Prediction with KNIME: Development and Validation of a Publicly Available Workflow for the Prediction of Human Oral Bioavailability.
Gabriela Falcón-Cano, Christophe Molina, Miguel Ángel Cabrera-Pérez

J Chem Inf Model· June 2020

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