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Molecular Informatics|August 5, 2016
Integrative Modeling Strategies for Predicting Drug Toxicities at the eTOX ProjectFerran Sanz, Pau Carrió, Oriol López, et al.Data in Brief|March 1, 2017
Curated human hyperbilirubinemia data and the respective OATP1B1 and 1B3 inhibition predictionsEleni Kotsampasakou, Sylvia E Escher, Gerhard F EckerEuropean Journal of Pharmaceutical Sciences : Official Journal of the European Federation for Pharmaceutical Sciences|January 9, 2017
Linking organic anion transporting polypeptide 1B1 and 1B3 (OATP1B1 and OATP1B3) interaction profiles to hepatotoxicity - The hyperbilirubinemia use caseEleni Kotsampasakou, Sylvia E Escher, Gerhard F EckerScientific Reports|October 23, 2019
Rigorous sampling of docking poses unveils binding hypothesis for the halogenated ligands of L-type Amino acid Transporter 1 (LAT1)Natesh Singh, Bruno O Villoutreix, Gerhard F EckerJournal of Computer-Aided Molecular Design|February 16, 2023
pH-dependent solubility prediction for optimized drug absorption and compound uptake by plantsAnne Bonin, Floriane Montanari, Sebastian Niederführ, et al.Chemical Science|March 8, 2019
Learning continuous and data-driven molecular descriptors by translating equivalent chemical representationsRobin Winter, Floriane Montanari, Frank Noé, et al.Chemical Science|November 11, 2021
Img2Mol - accurate SMILES recognition from molecular graphical depictionsDjork-Arné Clevert, Tuan Le, Robin Winter, et al.Journal of Neurochemistry|April 24, 2025
Careful Examination of a Novel Azobenzene Paroxetine Derivative and Its Interactions With Biogenic Amine TransportersDominik Dreier, Oliver John V Belleza, Katharina Schlögl, et al.Molecular Pharmaceutics|October 16, 2015
Identification of Novel Inhibitors of Organic Anion Transporting Polypeptides 1B1 and 1B3 (OATP1B1 and OATP1B3) Using a Consensus Vote of Six Classification ModelsEleni Kotsampasakou, Stefan Brenner, Walter Jäger, et al.Journal of Cheminformatics|May 7, 2022
Off-targetP ML: an open source machine learning framework for off-target panel safety assessment of small moleculesDoha Naga, Wolfgang Muster, Eunice Musvasva, et al.Pageof 19