The DOI matches its Crossref record; 28 of the 28 references it cites were found in a registry or an index.
Seven Year Itch: Pan-Assay Interference Compounds (PAINS) in 2017—Utility and Limitations
Open accessAbstract
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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Cites
Baell, J. B., & Holloway, G. A. (2010) · Journal of Medicinal Chemistry · doi:10.1021/jm901137j · Cited by 3,944
Self-citationChemistry: Chemical con artists foil drug discovery
Baell, J., & Walters, M. A. (2014) · Nature · doi:10.1038/513481a · Cited by 1,043
Self-citationThe promise and peril of chemical probes
Arrowsmith, C. H., Audia, J. E., Austin, C., Baell, J., Bennett, J., Blagg, J., Bountra, C., Brennan, P. E., Brown, P. J., Bunnage, M. E., et al. (2015) · Nature Chemical Biology · doi:10.1038/nchembio.1867 · Cited by 839
Self-citationWang, Y., Bryant, S. H., Cheng, T., Wang, J., Gindulyte, A., Shoemaker, B. A., Thiessen, P. A., He, S., & Zhang, J. (2017) · Nucleic Acids Research · doi:10.1093/nar/gkw1118 · Cited by 671
Baell, J. B. (2016) · Journal of Natural Products · doi:10.1021/acs.jnatprod.5b00947 · Cited by 539
Self-citationDahlin, J. L., Nissink, J. W. M., Strasser, J. M., Francis, S., Higgins, L., Zhou, H., Zhang, Z., & Walters, M. A. (2015) · Journal of Medicinal Chemistry · doi:10.1021/jm5019093 · Cited by 351
Self-citationRules for Identifying Potentially Reactive or Promiscuous Compounds
Bruns, R. F., & Watson, I. A. (2012) · Journal of Medicinal Chemistry · doi:10.1021/jm301008n · Cited by 338
FAF-Drugs3: a web server for compound property calculation and chemical library design
Lagorce, D., Sperandio, O., Baell, J. B., Miteva, M. A., & Villoutreix, B. O. (2015) · Nucleic Acids Research · doi:10.1093/nar/gkv353 · Cited by 272
Self-citationPhantom PAINS: Problems with the Utility of Alerts for P an-A ssay IN terference Compound S
Capuzzi, S. J., Muratov, E. N., & Tropsha, A. (2017) · Journal of Chemical Information and Modeling · doi:10.1021/acs.jcim.6b00465 · Cited by 260
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An open-source drug discovery platform enables ultra-large virtual screens
Gorgulla, C., Boeszoermenyi, A., Wang, Z.-F., Fischer, P. D., Coote, P. W., Padmanabha Das, K. M., Malets, Y. S., Radchenko, D. S., Moroz, Y. S., Scott, D. A., et al. (2020) · Nature · doi:10.1038/s41586-020-2117-z · Cited by 641
Advances in Targeting ‘Undruggable’ transcription Factors With Small Molecules
Henley, M. J., & Koehler, A. N. (2021) · Nature Reviews Drug Discovery · doi:10.1038/s41573-021-00199-0 · Cited by 409
The Synthesizability of Molecules Proposed by Generative Models
Gao, W., & Coley, C. W. (2020) · Journal of Chemical Information and Modeling · doi:10.1021/acs.jcim.0c00174 · Cited by 394
Xie, C., Zhuang, X.-X., Niu, Z., Ai, R., Lautrup, S., Zheng, S., Jiang, Y., Han, R., Gupta, T. S., Cao, S., et al. (2022) · Nature Biomedical Engineering · doi:10.1038/s41551-021-00819-5 · Cited by 336
Metadata
- Authors
- Baell, J. B., & Nissink, J. W. M.
- Venue
- ACS Chemical Biology
- Publisher
- American Chemical Society (ACS)
- Published
- 2017-12-26
- Volume
- 13
- Issue
- 1
- Pages
- 36-44
- ISSN
- 1554-8929 (ISSN-L)
- 1554-8937
- OpenAlex
- W2774836366
- Cited by
- 648
- References
- 28
- FWCI
- 35.90
- Type
- journal article
- Language
- en
- Open access
- hybrid
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