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Journal of Computer-Aided Molecular Design|November 11, 2016
Empowering pharmacoinformatics by linked life science dataDaria Goldmann, Barbara Zdrazil, Daniela Digles, et al.Molecular Informatics|February 29, 2020
Using Machine Learning Methods and Structural Alerts for Prediction of Mitochondrial ToxicityJennifer Hemmerich, Florentina Troger, Barbara Füzi, et al.Chemical Research in Toxicology|July 13, 2023
Identifying Differences in the Performance of Machine Learning Models for Off-Targets Trained on Publicly Available and Proprietary Data SetsAljoša Smajić, Iris Rami, Sergey Sosnin, et al.Drug Discovery Today. Technologies|July 17, 2014
Transporter taxonomy - a comparison of different transport protein classification schemesMichael Viereck, Anna Gaulton, Daniela Digles, et al.Journal of Computer-Aided Molecular Design|May 21, 2017
Structure based classification for bile salt export pump (BSEP) inhibitors using comparative structural modeling of human BSEPSankalp Jain, Melanie Grandits, Lars Richter, et al.Scientific Reports|April 12, 2020
Studies of structural determinants of substrate binding in the Creatine Transporter (CreaT, SLC6A8) using molecular modelsClaire Colas, Giulia Banci, Riccardo Martini, et al.Future Medicinal Chemistry|April 1, 2015
Novel scaffolds for modulation of TRPV1 identified with pharmacophore modeling and virtual screeningDaria Goldmann, Peter Pakfeifer, Steffen Hering, et al.European Journal of Pharmaceutical Sciences : Official Journal of the European Federation for Pharmaceutical Sciences|October 26, 2010
Synthesis, spasmolytic activity and structure-activity relationship study of a series of polypharmacological thiobenzanilidesGerda Brunhofer, Christian Studenik, Gerhard F Ecker, et al.Toxicology Letters|April 15, 2023
Toxicity prediction using target, interactome, and pathway profiles as descriptorsBarbara Füzi, Neann Mathai, Johannes Kirchmair, et al.Chemical Research in Toxicology|December 30, 2025
Leveraging Consensus Docking Approaches for Human Mitochondrial Complexes I and IIIKarin Grillberger, Viktoria Magel, Marcel Leist, et al.Pageof 19