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Weitere Publikationen von Autoren mit dem selben Namen

Bringing the MMFF force field to the RDKit: implementation and validation., , und . J. Cheminformatics, 6 (1): 37 (2014)Corrections to "Development of a Novel Fingerprint for Chemical Reactions and Its Application to Large-Scale Reaction Classification and Similarity"., , , und . Journal of Chemical Information and Modeling, 55 (2): 474 (2015)Heterogeneous Classifier Fusion for Ligand-Based Virtual Screening: Or, How Decision Making by Committee Can Be a Good Thing., , und . Journal of Chemical Information and Modeling, 53 (11): 2829-2836 (2013)Development of a Novel Fingerprint for Chemical Reactions and Its Application to Large-Scale Reaction Classification and Similarity., , , und . Journal of Chemical Information and Modeling, 55 (1): 39-53 (2015)Making sure there's a "give" associated with the "take": producing and using open-source software in big pharma., , , , und . J. Cheminformatics, 3 (S-1): 3 (2011)Get your chemistry right with KNIME., und . J. Cheminformatics, 5 (S-1): 1 (2013)The integration of Open3DTOOLS into the RDKit and KNIME., , und . J. Cheminformatics, 6 (S-1): 8 (2014)Feature-map vectors: a new class of informative descriptors for computational drug discovery., , und . Journal of Computer-Aided Molecular Design, 20 (12): 751-762 (2006)Get Your Atoms in Order - An Open-Source Implementation of a Novel and Robust Molecular Canonicalization Algorithm., , und . Journal of Chemical Information and Modeling, 55 (10): 2111-2120 (2015)What's What: The (Nearly) Definitive Guide to Reaction Role Assignment., , und . Journal of Chemical Information and Modeling, 56 (12): 2336-2346 (2016)