No abstract available
Keywords:
PAINS; aggregators; frequent hitters; in silico prediction; in vitro screening; machine learning; molecular similarity; promiscuous compounds; rule-based approaches; statistical methods.
Publication types
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Editorial
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Research Support, Non-U.S. Gov't
MeSH terms
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Drug Discovery / methods
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Drug Evaluation, Preclinical / methods
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High-Throughput Screening Assays* / methods
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Humans
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Machine Learning*
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Models, Statistical
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Small Molecule Libraries / chemistry
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Small Molecule Libraries / pharmacology*