New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries and for their exclusion in bioassays.
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Summary
A number of substructural features which can help to identify compounds that appear as frequent hitters (promiscuous compounds) in many biochemical high throughput screens are described.
- Type
- article
- Published
- 2010-02-04
- Cited by
- 3,650
- References
- 221
- Access
- Open access
- OpenAlex
- https://openalex.org/W2043509228
- Semantic Scholar
- https://api.semanticscholar.org/CorpusID:18795270
Keywords
Chemistry, Bioassay, High-throughput screening, Combinatorial chemistry, Computational biology
References
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- A possible molecular mechanism for the inhibition of cysteine proteases by salicylaldehyde N-acylhydrazones and related compounds
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