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British Journal of Pharmacology|February 3, 2005
CGH2466, a combined adenosine receptor antagonist, p38 mitogen-activated protein kinase and phosphodiesterase type 4 inhibitor with potent in vitro and in vivo anti-inflammatory activitiesAlexandre Trifilieff, Thomas H Keller, Neil J Press, et al.Journal of Chemical Information and Modeling|January 30, 2010
A surface-integral model for log P OWChristian Kramer, Bernd Beck, Timothy ClarkJournal of Chemical Theory and Computation|November 24, 2015
Leveraging Symmetries of Static Atomic Multipole Electrostatics in Molecular Dynamics SimulationsTristan Bereau, Christian Kramer, Markus MeuwlyJournal of Chemical Information and Modeling|May 18, 2018
mmpdb: An Open-Source Matched Molecular Pair Platform for Large Multiproperty Data SetsAndrew Dalke, Jérôme Hert, Christian KramerJournal of Chemical Information and Modeling|May 2, 2017
Matched Molecular Series: Measuring SAR SimilarityEmanuel S R Ehmki, Christian KramerMolecular Informatics|August 3, 2016
Quality Issues with Public Domain Chemogenomics DataTuomo Kalliokoski, Christian Kramer, Anna VulpettiJournal of Chemical Information and Modeling|May 6, 2020
Matched Molecular Series Analysis for ADME Property PredictionMahendra Awale, Sereina Riniker, Christian KramerJournal of Chemical Information and Modeling|January 22, 2010
Insolubility classification with accurate prediction probabilities using a MetaClassifierChristian Kramer, Bernd Beck, Timothy ClarkJournal of Chemical Theory and Computation|November 21, 2015
Charge Anisotropy: Where Atomic Multipoles Matter MostChristian Kramer, Alexander Spinn, Klaus R LiedlJournal of Chemical Information and Modeling|March 12, 2015
Strong nonadditivity as a key structure-activity relationship feature: distinguishing structural changes from assay artifactsChristian Kramer, Julian E Fuchs, Klaus R LiedlPageof 9