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Identification of Compounds That Interfere with High-Throughput Screening Assay Technologies
Authors:Laurianne David  Dr. Jarrod Walsh  Dr. Noé Sturm  Dr. Isabella Feierberg  Dr. J. Willem M. Nissink  Dr. Hongming Chen  Prof. Dr. Jürgen Bajorath  Dr. Ola Engkvist
Affiliation:1. Hit Discovery, Discovery Sciences, R&D BioPharmaceuticals, AstraZeneca Goteborg, Pepparedsleden 1, 431 83 Mölndal, Sweden;2. Hit Discovery, Discovery Sciences, R&D BioPharmaceuticals, AstraZeneca Cambridge, Alderley Park, Macclesfield, SK10 4TG UK;3. Data Science and AI, Drug Safety & Metabolism, R&D BioPharmaceuticals, AstraZeneca Gothenburg, Pepparedsleden 1, 431 83 Mölndal, Sweden;4. Hit Discovery, Discovery Sciences, R&D BioPharmaceuticals, AstraZeneca Boston, 35 Gatehouse Drive, Waltham, MA, 02451 USA;5. Computational Chemistry, Oncology R&D, AstraZeneca, Cambridge Science Park, Milton Road, Cambridge, CB4 0WG UK;6. Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität Bonn, Endenicher Allee 19c, 53115 Bonn, Germany
Abstract:
Keywords:assay interference  computational chemistry  frequent hitters  high-throughput screening  machine learning
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