KNIME Workflow to Assess PAINS Filters in SMARTS Format. Comparison of RDKit and Indigo Cheminformatics Libraries
Identification of a novel selective inhibitor of mutant isocitrate dehydrogenase 1 at allosteric site by docking-based virtual screening - RSC Advances (RSC Publishing) DOI:10.1039/C6RA21617J
FAFDrugs4 PAINS
Pan-assay interference compounds - Wikipedia
FilTer BaSe: A web accessible chemical database for small compound libraries - ScienceDirect
IJMS | Free Full-Text | Identification and Evaluation of Inhibitors of Lipase from Malassezia restricta using Virtual High-Throughput Screening and Molecular Dynamics Studies | HTML
Filtering Chemical Libraries
KNIME Workflow to Assess PAINS Filters in SMARTS Format. Comparison of RDKit and Indigo Cheminformatics Libraries - Saubern - 2011 - Molecular Informatics - Wiley Online Library
Chemistry: Chemical con artists foil drug discovery | Nature
Frontiers | Potent Bioactive Compounds From Seaweed Waste to Combat Cancer Through Bioinformatics Investigation
Could an over-reliance on computational PAINS filters prove a costly mistake for drug discovery?
PAINS Filter Tool
IJMS | Free Full-Text | Comparative Analyses of Medicinal Chemistry and Cheminformatics Filters with Accessible Implementation in Konstanz Information Miner (KNIME) | HTML
New Substructure Filters for Removal of Pan Assay Interference Compounds ( PAINS) from Screening Libraries and for Their Exclusion in Bioassays | Journal of Medicinal Chemistry
FAFDrugs4 PAINS
![PDF] New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries and for their exclusion in bioassays. | Semantic Scholar](https://d3i71xaburhd42.cloudfront.net/dc74cc019e30ea0cba35ca71c2e5ca1bc731e89b/4-Figure1-1.png "PDF] New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries and for their exclusion in bioassays. | Semantic Scholar")
PDF] New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries and for their exclusion in bioassays. | Semantic Scholar
IJMS | Free Full-Text | Comparative Analyses of Medicinal Chemistry and Cheminformatics Filters with Accessible Implementation in Konstanz Information Miner (KNIME) | HTML
Seven Year Itch: Pan-Assay Interference Compounds (PAINS) in 2017—Utility and Limitations | ACS Chemical Biology
New Substructure Filters for Removal of Pan Assay Interference Compounds ( PAINS) from Screening Libraries and for Their Exclusion in Bioassays | Journal of Medicinal Chemistry
Pan-Assay Interference Compounds (PAINs). | Download Scientific Diagram
A Whole-Cell Screen for Adjunctive and Direct Antimicrobials Active against Carbapenem-Resistant Enterobacteriaceae - SLAS Discovery
Filters for PAINS and promiscuous compounds. | Download Table
New Substructure Filters for Removal of Pan Assay Interference Compounds ( PAINS) from Screening Libraries and for Their Exclusion in Bioassays | Journal of Medicinal Chemistry
