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Journal of Chemical Information and Modeling|May 2, 2017
Matched Molecular Series: Measuring SAR SimilarityEmanuel S R Ehmki, Christian KramerChemmedchem|December 7, 2017
Exploring Structure-Activity Relationships with Three-Dimensional Matched Molecular Pairs-A ReviewEmanuel S R Ehmki, Matthias RareyJournal of Chemical Information and Modeling|May 25, 2019
Comparing Molecular Patterns Using the Example of SMARTS: Applications and Filter Collection AnalysisEmanuel S R Ehmki, Robert Schmidt, Farina Ohm, et al.Journal of Chemical Information and Modeling|January 2, 2026
ActivityFinder: Toward the Fully Automatic Integration of Structural and Binding Affinity DataEmanuel S R Ehmki, Torben Gutermuth, Tobias Harren, et al.Molecular Informatics|September 30, 2020
SMARTS.plus - A Toolbox for Chemical Pattern DesignChristiane Ehrt, Bennet Krause, Robert Schmidt, et al.Journal of Computer-Aided Molecular Design|June 9, 2016
Kinetic barriers in the isomerization of substituted ureas: implications for computer-aided drug designJohannes R Loeffler, Emanuel S R Ehmki, Julian E Fuchs, et al.Journal of Chemical Information and Modeling|May 24, 2019
Comparing Molecular Patterns Using the Example of SMARTS: Theory and AlgorithmsRobert Schmidt, Emanuel S R Ehmki, Farina Ohm, et al.Journal of Chemical Information and Modeling|May 8, 2026
Enabling Automatic Generation of Protein-Ligand Complex Data Sets with Atomistic DetailTorben Gutermuth, Emanuel S R Ehmki, Florian Flachsenberg, et al.Journal of Chemical Information and Modeling|September 12, 2019
Nonadditivity AnalysisChristian KramerJournal of Chemical Information and Modeling|October 13, 2010
Leave-cluster-out cross-validation is appropriate for scoring functions derived from diverse protein data setsChristian Kramer, Peter GedeckPageof 7