Seven Year Itch: Pan-Assay Interference Compounds (PAINS) in 2017—Utility and Limitations-Reference-Cited by-同舟云学术

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

Published:2017-12-26 Issue:1 Volume:13 Page:36-44
ISSN:1554-8929
Container-title:ACS Chemical Biology
language:en
Short-container-title:ACS Chem. Biol.

Author:

Baell Jonathan B.¹²^ORCID,Nissink J. Willem M.³^ORCID

Affiliation:

1. Medicinal Chemistry, Monash Institute of Pharmaceutical Sciences, Monash University, Parkville, Victoria 3052, Australia

2. School of Pharmaceutical Sciences, Nanjing Tech University, No. 30 South Puzhu Road, Nanjing 211816, People’s Republic of China

3. Computational Chemistry, Oncology, IMED Biotech Unit, AstraZeneca, Unit 310, Cambridge Science Park, Milton Road, Cambridge CB4 0WG, United Kingdom

Funder

National Health and Medical Research Council

State Government of Victoria

Department of Education and Training, Australian Government

Publisher

American Chemical Society (ACS)

Subject

Molecular Medicine,General Medicine,Biochemistry

Link

http://pubs.acs.org/doi/pdf/10.1021/acschembio.7b00903

Reference32 articles.

1. New Substructure Filters for Removal of Pan Assay Interference Compounds (PAINS) from Screening Libraries and for Their Exclusion in Bioassays

2. FAF-Drugs3: a web server for compound property calculation and chemical library design

3. KNIME Workflow to Assess PAINS Filters in SMARTS Format. Comparison of RDKit and Indigo Cheminformatics Libraries

4. The promise and peril of chemical probes

5. Chemistry: Chemical con artists foil drug discovery

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