Marina García de Lomana

Characterization of the Chemical Space of Known and Readily Obtainable Natural Products

Ya Chen, Marina García de Lomana, Nils‐Ole Friedrich et al. · Journal of Chemical Information and Modeling · 2018 · 114 citations

Engineering, Chemical Composition, Organic Chemistry +24

In Silico Models to Predict the Perturbation of Molecular Initiating Events Related to Thyroid Hormone Homeostasis

Marina García de Lomana, Andreas Georg Weber, Barbara Birk et al. · Chemical Research in Toxicology · 2020 · 57 citations · Full text

Engineering, Machine Learning, Genetics +22

ChemBioSim: Enhancing Conformal Prediction of In Vivo Toxicity by Use of Predicted Bioactivities

Marina García de Lomana, Andrea Morger, Ulf Norinder et al. · Journal of Chemical Information and Modeling · 2021 · 29 citations · Full text

Drug Target, Chemical Biology, Toxicological Mechanism +21

Predicting the Mitochondrial Toxicity of Small Molecules: Insights from Mechanistic Assays and Cell Painting Data

Marina García de Lomana, Paula Andrea Marin Zapata, Floriane Montanari · Chemical Research in Toxicology · 2023 · 29 citations · Full text

Machine Learning, Molecular Biology, Pathology +24

Systematic evaluation of high-throughput PBK modelling strategies for the prediction of intravenous and oral pharmacokinetics in humans

René Geci, Domenico Gadaleta, Marina García de Lomana et al. · Archives of Toxicology · 2024 · 25 citations · Full text