Seven Year Itch: Pan-Assay Interference Compounds (PAINS) in 2017-Utility and Limitations.
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TLDR
This work outlines for the first time all necessary considerations for the appropriate use of PAINS filters.Abstract:
Pan-Assay Interference Compounds (PAINS) are very familiar to medicinal chemists who have spent time fruitlessly trying to optimize these nonprogressible compounds. Electronic filters formulated to recognize PAINS can process hundreds and thousands of compounds in seconds and are in widespread current use to identify PAINS in order to exclude them from further analysis. However, this practice is fraught with danger because such black box treatment is simplistic. Here, we outline for the first time all necessary considerations for the appropriate use of PAINS filters.read more
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References
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New Substructure Filters for Removal of Pan Assay Interference Compounds (PAINS) from Screening Libraries and for Their Exclusion in Bioassays
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TL;DR: An update for the PubChem Bio Assay database is provided describing several recent development including added sources of research data, redesigned BioAssay record page, new bioAssay classification browser and new features in the Upload system facilitating data sharing.