Systematic computational identification of promiscuity cliff pathways formed by inhibitors of the human kinome
Author:
Publisher
Springer Science and Business Media LLC
Subject
Physical and Theoretical Chemistry,Computer Science Applications,Drug Discovery
Link
http://link.springer.com/content/pdf/10.1007/s10822-019-00198-9.pdf
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3. Shoichet BK (2006) Screening in a spirit haunted world. Drug Discov Today 11:607–615
4. Baell JB, Holloway GA (2010) New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries and for their exclusion in bioassays. J Med Chem 53:2719–2740
5. Baell J, Walters MA (2014) Chemistry: chemical con artists foil drug discovery. Nature 513:481–483
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