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Current Medicinal Chemistry|January 29, 2008
Predictive models for HERG channel blockers: ligand-based and structure-based approachesKhac-Minh Thai, Gerhard F Ecker
Molecular Diversity|February 17, 2009
Similarity-based SIBAR descriptors for classification of chemically diverse hERG blockersKhac-Minh Thai, Gerhard F Ecker
Bioorganic & Medicinal Chemistry|February 5, 2008
A binary QSAR model for classification of hERG potassium channel blockersKhac-Minh Thai, Gerhard F Ecker
Plos Computational Biology|May 19, 2011
Exhaustive sampling of docking poses reveals binding hypotheses for propafenone type inhibitors of P-glycoproteinFreya Klepsch, Peter Chiba, Gerhard F Ecker
Journal of Computer-Aided Molecular Design|October 27, 2005
Similarity-based descriptors (SIBAR)--a tool for safe exchange of chemical information?Dominik Kaiser, Barbara Zdrazil, Gerhard F Ecker
Molecular Informatics|December 11, 2012
Taking Open Innovation to the Molecular Level - Strengths and LimitationsBarbara Zdrazil, Niklas Blomberg, Gerhard F Ecker
European Journal of Pharmaceutical Sciences : Official Journal of the European Federation for Pharmaceutical Sciences|June 25, 2018
Interspecies comparison of putative ligand binding sites of human, rat and mouse P-glycoproteinSankalp Jain, Melanie Grandits, Gerhard F Ecker
Journal of Cheminformatics|August 13, 2022
Using Jupyter Notebooks for re-training machine learning modelsAljoša Smajić, Melanie Grandits, Gerhard F Ecker
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