Seven Year Itch: Pan-Assay Interference Compounds (PAINS) in 2017 - Utility and Limitations

Jonathan B. Baell, J. Willem M. Nissink

Research output: Contribution to journalReview ArticleResearchpeer-review

146 Citations (Scopus)

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.

Original languageEnglish
Pages (from-to)36-44
Number of pages9
JournalACS Chemical Biology
Volume13
Issue number1
DOIs
Publication statusPublished - 19 Jan 2018

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