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# Chemical libraries # Chemical libraries
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. 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/table.html). ZINC assigns an `abbreviation` to each collection, and we stick with ZINC notation if possible.
* In the SB&NB file-system, compound collections can be found in `/aloy/web_checker/libraries/`. * In the SB&NB file-system, compound collections can be found in `/aloy/web_checker/libraries/`.
* The `chemical_checker` [PostGreSQL database](database) contains the compound collections, too, in the `libraries` table. * The `chemical_checker` [PostGreSQL database](database) contains the compound collections, too, in the `libraries` table.
...@@ -9,8 +9,8 @@ The following is a list of chemical libraries that we like to use in virtual scr ...@@ -9,8 +9,8 @@ The following is a list of chemical libraries that we like to use in virtual scr
These are popular and representative compound libraries that we offer as default search libraries in the [Chemical Checker similarity resource](http://www.chemicalchecker.org). These are popular and representative compound libraries that we offer as default search libraries in the [Chemical Checker similarity resource](http://www.chemicalchecker.org).
* Approved Drugs: `apd`: [molecules](). Approved drugs according to [DrugBank](https://www.drugbank.ca/). * Approved Drugs: `dbap` [[molecules](http://zinc15.docking.org/catalogs/dbap/)]. Approved drugs according to [DrugBank](https://www.drugbank.ca/).
* Experimental Drugs `exd`: [molecules](). Experimental drugs according to [DrugBank](https://www.drugbank.ca/). We remove drugs that are considered to be approved. * Experimental Drugs `exd` [[molecules]()]. Experimental drugs according to [DrugBank](https://www.drugbank.ca/).
* Human Metabolites `hmbdb`: [http://www.hmdb.ca/](http://www.hmdb.ca/). Human metabolites available from the Human Metabolome Database. * Human Metabolites `hmbdb`: [http://www.hmdb.ca/](http://www.hmdb.ca/). Human metabolites available from the Human Metabolome Database.
* 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. * 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.
* 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. * 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.
...@@ -36,3 +36,4 @@ We have a particular interest in natural product (NP) databases, mainly because ...@@ -36,3 +36,4 @@ We have a particular interest in natural product (NP) databases, mainly because
* Northern African Natural Products Database (NANPDB): [http://african-compounds.org/nanpdb/](http://african-compounds.org/nanpdb/). About 4.5k NPs from Northern Africa, mainly from plants. * Northern African Natural Products Database (NANPDB): [http://african-compounds.org/nanpdb/](http://african-compounds.org/nanpdb/). About 4.5k NPs from Northern Africa, mainly from plants.
* Brazilian Natural Compound Database (NUBBEdb): [https://nubbe.iq.unesp.br/portal/nubbedb.html](https://nubbe.iq.unesp.br/portal/nubbedb.html). Contains 640 molecules mainly from plants in Brazil. * Brazilian Natural Compound Database (NUBBEdb): [https://nubbe.iq.unesp.br/portal/nubbedb.html](https://nubbe.iq.unesp.br/portal/nubbedb.html). Contains 640 molecules mainly from plants in Brazil.