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Chemical Research in Toxicology|July 6, 2023
Predicting the Mitochondrial Toxicity of Small Molecules: Insights from Mechanistic Assays and Cell Painting DataMarina Garcia de Lomana, Paula Andrea Marin Zapata, Floriane MontanariJournal of Chemical Information and Modeling|July 17, 2018
Characterization of the Chemical Space of Known and Readily Obtainable Natural ProductsYa Chen, Marina Garcia de Lomana, Nils-Ole Friedrich, et al.Chemical Research in Toxicology|March 10, 2025
Predicting Liver-Related In Vitro Endpoints with Machine Learning to Support Early Detection of Drug-Induced Liver InjuryMarina Garcia de Lomana, Domenico Gadaleta, Marian Raschke, et al.Scientific Reports|May 4, 2022
Studying and mitigating the effects of data drifts on ML model performance at the example of chemical toxicity dataAndrea Morger, Marina Garcia de Lomana, Ulf Norinder, et al.Pharmaceuticals (Basel, Switzerland)|August 28, 2021
Predicting the Skin Sensitization Potential of Small Molecules with Machine Learning Models Trained on Biologically Meaningful DescriptorsAnke Wilm, Marina Garcia de Lomana, Conrad Stork, et al.Journal of Cheminformatics|November 6, 2024
Quantitative structure-activity relationships of chemical bioactivity toward proteins associated with molecular initiating events of organ-specific toxicityDomenico Gadaleta, Marina Garcia de Lomana, Eva Serrano-Candelas, et al.Journal of Chemical Information and Modeling|June 21, 2021
ChemBioSim: Enhancing Conformal Prediction of In Vivo Toxicity by Use of Predicted BioactivitiesMarina Garcia de Lomana, Andrea Morger, Ulf Norinder, et al.Chemical Research in Toxicology|November 13, 2020
In Silico Models to Predict the Perturbation of Molecular Initiating Events Related to Thyroid Hormone HomeostasisMarina Garcia de Lomana, Andreas Georg Weber, Barbara Birk, et al.Journal of Cheminformatics|December 26, 2024
Comprehensive benchmarking of computational tools for predicting toxicokinetic and physicochemical properties of chemicalsDomenico Gadaleta, Eva Serrano-Candelas, Rita Ortega-Vallbona, et al.Toxicology|April 19, 2025
DockTox: Targeting molecular initiating events in organ toxicity through molecular dockingRita Ortega-Vallbona, David Talavera-Cortés, Laureano E Carpio, et al.Pageof 2