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hadim committed Jul 12, 2023
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"# Structural Filters\n",
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"Structural filters can be used to triage or flag compounds that contains a specific molecular features that can often be unwanted or undesired. Medchem proposes 3 types of structural filters:\n",
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"jhgjhgjf\n",
"- **Common Alerts**: a list of filters curated and aggregated from ChEMBL and the public litterature. The original curation was performed by [Patrick Walters](https://twitter.com/wpwalters) and proposed at <https://github.com/PatWalters/rd_filters>.\n",
"- **NIBR Filters**: Novartis screening deck originally proposed in [Evolution of Novartis’ Small Molecule Screening Deck Design](https://doi.org/10.1021/acs.jmedchem.0c01332).\n",
"- **Eli Lilly Demerits Filters**: A set of 275 rules used to identify compounds that may interfere with biological assays. Originally proposed in [Rules for Identifying Potentially Reactive or Promiscuous Compounds](https://doi.org/10.1021/jm301008n)."
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