Highly Accurate Filters to Flag Frequent Hitters in AlphaScreen Assays by Suggesting their Mechanism.

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Title: Highly Accurate Filters to Flag Frequent Hitters in AlphaScreen Assays by Suggesting their Mechanism.
Authors: Ghosh D; Lead Discovery Center GmbH, Otto-Hahn-Straße 15, 44227, Dortmund, Germany., Koch U; Lead Discovery Center GmbH, Otto-Hahn-Straße 15, 44227, Dortmund, Germany., Hadian K; Assay Development and Screening Platform, Helmholtz Zentrum München - German Research Center for Environmental Health (GmbH), Ingolstädter Landstraße 1, D-85764, Neuherberg, Germany., Sattler M; Bavarian NMR Center, Department Chemie, Technische Universität München, Ernst-Otto-Fischerstraße 2, D-85747, Garching, Germany.; Institute of Structural Biology, Helmholtz Zentrum München - German Research Center for Environmental Health (GmbH), Ingolstädter Landstraße 1, D-85764, Neuherberg, Germany., Tetko IV; Institute of Structural Biology, Helmholtz Zentrum München - German Research Center for Environmental Health (GmbH), Ingolstädter Landstraße 1, D-85764, Neuherberg, Germany.; G.A. Krestov Institute of Solution Chemistry of the Russian Academy of Sciences, Akademicheskaya Street 1, 153045, Ivanovo, Russia.; BIGCHEM GmbH, Valerystr. 49, D-85716, Unterschleißheim, Germany.
Source: Molecular informatics [Mol Inform] 2022 Mar; Vol. 41 (3), pp. e2100151. Date of Electronic Publication: 2021 Oct 22.
Publication Type: Journal Article; Research Support, Non-U.S. Gov't
Journal Info: Publisher: Wiley-VCH Verlag Country of Publication: Germany NLM ID: 101529315 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1868-1751 (Electronic) Linking ISSN: 18681743 NLM ISO Abbreviation: Mol Inform Subsets: MEDLINE
Database: MEDLINE Ultimate
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ISSN:1868-1751
DOI:10.1002/minf.202100151