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# Chemical libraries
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# Chemical libraries
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The following is a list of chemical libraries that we like to use in virtual screening exercises.
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The following is a list of chemical libraries that we like to use in virtual screening exercises. This is only a small selection. The best way to browse compound collections is via [ZINC Subsets](http://zinc15.docking.org/substances/subsets/) and, especially, [ZINC Catalogs](http://zinc15.docking.org/catalogs/). ZINC assigns an `abbreviation` to each collection, and we stick with ZINC notation if possible.
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* In the SB&NB file-system, compound collections can be found in `/aloy/web_checker/libraries/`.
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* In the SB&NB file-system, compound collections can be found in `/aloy/web_checker/libraries/`.
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* The `chemical_checker` [PostGreSQL database](database) contains the compound collections, too, in the `libraries` table.
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* The `chemical_checker` [PostGreSQL database](database) contains the compound collections, too, in the `libraries` table.
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These are only a very small selection of compound collections. The best way to browse compound collections is via [ZINC Subsets](http://zinc15.docking.org/substances/subsets/) and, especially, [ZINC Catalogs](http://zinc15.docking.org/catalogs/). ZINC assigns an `abbreviation` to every collections, and we stick with this notation as long as the database is indeed present in ZINC.
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## Exemplar collections
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## Exemplar collections
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These are popular and representative compound libraries that we offer as default search libraries in the [Chemical Checker similarity resource](http://www.chemicalchecker.org).
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These are popular and representative compound libraries that we offer as default search libraries in the [Chemical Checker similarity resource](http://www.chemicalchecker.org).
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* Approved Drugs `apd`: [https://www.drugbank.ca/](https://www.drugbank.ca/). Approved drugs according to DrugBank.
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* Approved Drugs: `apd`: [molecules](). Approved drugs according to [DrugBank](https://www.drugbank.ca/).
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* Experimental Drugs `exd`: [https://www.drugbank.ca/](https://www.drugbank.ca/). Experimental drugs according to DrugBank. We remove drugs that are considered to be approved.
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* Experimental Drugs `exd`: [molecules](). Experimental drugs according to [DrugBank](https://www.drugbank.ca/). We remove drugs that are considered to be approved.
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* Human Metabolites `hmbdb`: [http://www.hmdb.ca/](http://www.hmdb.ca/). Human metabolites available from the Human Metabolome Database.
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* Human Metabolites `hmbdb`: [http://www.hmdb.ca/](http://www.hmdb.ca/). Human metabolites available from the Human Metabolome Database.
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* Traditional Chinese Medicines `tcm`: [http://tcm.cmu.edu.tw/](http://tcm.cmu.edu.tw/). Traditional Chinese Medicines from TCM@Taiwan database. This is the world's largest collection of Chinese medicines.
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* Traditional Chinese Medicines `tcm`: [http://tcm.cmu.edu.tw/](http://tcm.cmu.edu.tw/). Traditional Chinese Medicines from TCM@Taiwan database. This is the world's largest collection of Chinese medicines.
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* LINCS Compounds `lincs`: [http://lincsportal.ccs.miami.edu/SmallMolecules/](http://lincsportal.ccs.miami.edu/SmallMolecules/). Compounds, mainly from the Broad Institute Library, related to the LINCS consortium.
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* LINCS Compounds `lincs`: [http://lincsportal.ccs.miami.edu/SmallMolecules/](http://lincsportal.ccs.miami.edu/SmallMolecules/). Compounds, mainly from the Broad Institute Library, related to the LINCS consortium.
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... | @@ -23,7 +21,7 @@ These are popular and representative compound libraries that we offer as default |
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## Screening libraries
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## Screening libraries
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There is a great number of chemogenomics databases that one may consider. I list here the ones selected in an important recent review on the matter: .
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There is a large number number of chemogenomics databases that one may consider. I list here the ones selected in an important recent review on the matter: .
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## Natural product databases
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## Natural product databases
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