Journal
ACS CHEMICAL BIOLOGY
Volume 13, Issue 1, Pages 36-44Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acschembio.7b00903
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Funding
- National Health and Medical Research Council of Australia (NHMRC) [1020411, 1117602]
- Therapeutic Innovation Australia (TIA)
- Australian Government through the National Collaborative Research Infrastructure Strategy (NCRIS) program
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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.
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