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* [https://compoundcloud.wikibase.cloud/query/#PREFIX%20wd%3A%20%3Chttps%3A%2F%2Fcompoundcloud.wikibase.cloud%2Fentity%2F%3E%0APREFIX%20wdt%3A%20%3Chttps%3A%2F%2Fcompoundcloud.wikibase.cloud%2Fprop%2Fdirect%2F%3E%0A%0ASELECT%20%3Fcmp%20%3FcmpLabel%20%3Fpubchem%20%3Ftoxbank%0A%20%20%20%20%20%20%20%28GROUP_CONCAT%28DISTINCT%20%3FroleLabel%3B%20separator%3D%22%2C%20%22%29%20AS%20%3Froles%29%0AWHERE%20%7B%0A%20%20%3Fcmp%20wdt%3AP13%20%3Fpubchem%20.%0A%20%20OPTIONAL%20%7B%20%3Fcmp%20wdt%3AP4%20%3Ftoxbank%20%7D%0A%20%20OPTIONAL%20%7B%20%3Fcmp%20wdt%3AP17%20%3Frole%20.%20%3Frole%20rdfs%3Alabel%20%3FroleLabel%7D%0A%20%20SERVICE%20wikibase%3Alabel%20%7B%20bd%3AserviceParam%20wikibase%3Alanguage%20%22%5BAUTO_LANGUAGE%5D%2Cen%22.%20%7D%0A%7D%20GROUP%20BY%20%3Fcmp%20%3FcmpLabel%20%3Fpubchem%20%3Ftoxbank List all compounds] | * [https://compoundcloud.wikibase.cloud/query/#PREFIX%20wd%3A%20%3Chttps%3A%2F%2Fcompoundcloud.wikibase.cloud%2Fentity%2F%3E%0APREFIX%20wdt%3A%20%3Chttps%3A%2F%2Fcompoundcloud.wikibase.cloud%2Fprop%2Fdirect%2F%3E%0A%0ASELECT%20%3Fcmp%20%3FcmpLabel%20%3Fpubchem%20%3Ftoxbank%0A%20%20%20%20%20%20%20%28GROUP_CONCAT%28DISTINCT%20%3FroleLabel%3B%20separator%3D%22%2C%20%22%29%20AS%20%3Froles%29%0AWHERE%20%7B%0A%20%20%3Fcmp%20wdt%3AP13%20%3Fpubchem%20.%0A%20%20OPTIONAL%20%7B%20%3Fcmp%20wdt%3AP4%20%3Ftoxbank%20%7D%0A%20%20OPTIONAL%20%7B%20%3Fcmp%20wdt%3AP17%20%3Frole%20.%20%3Frole%20rdfs%3Alabel%20%3FroleLabel%7D%0A%20%20SERVICE%20wikibase%3Alabel%20%7B%20bd%3AserviceParam%20wikibase%3Alanguage%20%22%5BAUTO_LANGUAGE%5D%2Cen%22.%20%7D%0A%7D%20GROUP%20BY%20%3Fcmp%20%3FcmpLabel%20%3Fpubchem%20%3Ftoxbank List all compounds] | ||
** [https://compoundcloud.wikibase.cloud/query/#PREFIX%20wd%3A%20%3Chttps%3A%2F%2Fcompoundcloud.wikibase.cloud%2Fentity%2F%3E%0APREFIX%20wdt%3A%20%3Chttps%3A%2F%2Fcompoundcloud.wikibase.cloud%2Fprop%2Fdirect%2F%3E%0A%0ASELECT%20%3Fcmp%20%3FcmpLabel%20%3FtypeLabel%20%3Fpubchem%20%3Ftoxbank%0A%20%20%20%20%20%20%20%28GROUP_CONCAT%28DISTINCT%20%3FroleLabel%3B%20separator%3D%22%2C%20%22%29%20AS%20%3Froles%29%0AWHERE%20%7B%0A%20%20%3Fcmp%20wdt%3AP21%20wd%3AQ2059%20%3B%20wdt%3AP1%20%3Ftype%20.%0A%20%20OPTIONAL%20%7B%20%3Fcmp%20wdt%3AP13%20%3Fpubchem%20%7D%0A%20%20OPTIONAL%20%7B%20%3Fcmp%20wdt%3AP17%20%3Frole%20.%20%3Frole%20rdfs%3Alabel%20%3FroleLabel%20%7D%0A%20%20SERVICE%20wikibase%3Alabel%20%7B%20bd%3AserviceParam%20wikibase%3Alanguage%20%22%5BAUTO_LANGUAGE%5D%2Cen%22.%20%7D%0A%7D%20GROUP%20BY%20%3FtypeLabel%20%3Fcmp%20%3FcmpLabel%20%3Fpubchem%20%3Ftoxbank VHP4Safety subset] | ** [https://compoundcloud.wikibase.cloud/query/#PREFIX%20wd%3A%20%3Chttps%3A%2F%2Fcompoundcloud.wikibase.cloud%2Fentity%2F%3E%0APREFIX%20wdt%3A%20%3Chttps%3A%2F%2Fcompoundcloud.wikibase.cloud%2Fprop%2Fdirect%2F%3E%0A%0ASELECT%20%3Fcmp%20%3FcmpLabel%20%3FtypeLabel%20%3Fpubchem%20%3Ftoxbank%0A%20%20%20%20%20%20%20%28GROUP_CONCAT%28DISTINCT%20%3FroleLabel%3B%20separator%3D%22%2C%20%22%29%20AS%20%3Froles%29%0AWHERE%20%7B%0A%20%20%3Fcmp%20wdt%3AP21%20wd%3AQ2059%20%3B%20wdt%3AP1%20%3Ftype%20.%0A%20%20OPTIONAL%20%7B%20%3Fcmp%20wdt%3AP13%20%3Fpubchem%20%7D%0A%20%20OPTIONAL%20%7B%20%3Fcmp%20wdt%3AP4%20%3Ftoxbank%20%7D%0A%20%20OPTIONAL%20%7B%20%3Fcmp%20wdt%3AP17%20%3Frole%20.%20%3Frole%20rdfs%3Alabel%20%3FroleLabel%20%7D%0A%20%20SERVICE%20wikibase%3Alabel%20%7B%20bd%3AserviceParam%20wikibase%3Alanguage%20%22%5BAUTO_LANGUAGE%5D%2Cen%22.%20%7D%0A%7D%20GROUP%20BY%20%3FtypeLabel%20%3Fcmp%20%3FcmpLabel%20%3Fpubchem%20%3Ftoxbank VHP4Safety subset] | ||
** [https://compoundcloud.wikibase.cloud/query/#PREFIX%20wd%3A%20%3Chttps%3A%2F%2Fcompoundcloud.wikibase.cloud%2Fentity%2F%3E%0APREFIX%20wdt%3A%20%3Chttps%3A%2F%2Fcompoundcloud.wikibase.cloud%2Fprop%2Fdirect%2F%3E%0A%0ASELECT%20%3Fcmp%20%3FcmpLabel%20%3Fpubchem%20%3Ftoxbank%0A%20%20%20%20%20%20%20%28GROUP_CONCAT%28DISTINCT%20%3FroleLabel%3B%20separator%3D%22%2C%20%22%29%20AS%20%3Froles%29%0AWHERE%20%7B%0A%20%20%3Fcmp%20wdt%3AP13%20%3Fpubchem%20%3B%20wdt%3AP4%20%3Ftoxbank%20.%0A%20%20OPTIONAL%20%7B%20%3Fcmp%20wdt%3AP17%20%3Frole%20.%20%3Frole%20rdfs%3Alabel%20%3FroleLabel%7D%0A%20%20SERVICE%20wikibase%3Alabel%20%7B%20bd%3AserviceParam%20wikibase%3Alanguage%20%22%5BAUTO_LANGUAGE%5D%2Cen%22.%20%7D%0A%7D%20GROUP%20BY%20%3Fcmp%20%3FcmpLabel%20%3Fpubchem%20%3Ftoxbank ToxBank Wiki subset] | ** [https://compoundcloud.wikibase.cloud/query/#PREFIX%20wd%3A%20%3Chttps%3A%2F%2Fcompoundcloud.wikibase.cloud%2Fentity%2F%3E%0APREFIX%20wdt%3A%20%3Chttps%3A%2F%2Fcompoundcloud.wikibase.cloud%2Fprop%2Fdirect%2F%3E%0A%0ASELECT%20%3Fcmp%20%3FcmpLabel%20%3Fpubchem%20%3Ftoxbank%0A%20%20%20%20%20%20%20%28GROUP_CONCAT%28DISTINCT%20%3FroleLabel%3B%20separator%3D%22%2C%20%22%29%20AS%20%3Froles%29%0AWHERE%20%7B%0A%20%20%3Fcmp%20wdt%3AP13%20%3Fpubchem%20%3B%20wdt%3AP4%20%3Ftoxbank%20.%0A%20%20OPTIONAL%20%7B%20%3Fcmp%20wdt%3AP17%20%3Frole%20.%20%3Frole%20rdfs%3Alabel%20%3FroleLabel%7D%0A%20%20SERVICE%20wikibase%3Alabel%20%7B%20bd%3AserviceParam%20wikibase%3Alanguage%20%22%5BAUTO_LANGUAGE%5D%2Cen%22.%20%7D%0A%7D%20GROUP%20BY%20%3Fcmp%20%3FcmpLabel%20%3Fpubchem%20%3Ftoxbank ToxBank Wiki subset] | ||
* [https://compoundcloud.wikibase.cloud/query/#PREFIX%20wd%3A%20%3Chttps%3A%2F%2Fcompoundcloud.wikibase.cloud%2Fentity%2F%3E%0APREFIX%20wdt%3A%20%3Chttps%3A%2F%2Fcompoundcloud.wikibase.cloud%2Fprop%2Fdirect%2F%3E%0A%0ASELECT%20%3Fcmp%20%3FcmpLabel%20%3Fxenometabolism%0AWHERE%20%7B%0A%20%20%3Fcmp%20wdt%3AP19%20%3Fxenometabolism%20.%0A%20%20SERVICE%20wikibase%3Alabel%20%7B%20bd%3AserviceParam%20wikibase%3Alanguage%20%22%5BAUTO_LANGUAGE%5D%2Cen%22.%20%7D%0A%7D Compound with known xenobiotic metabolism] | * [https://compoundcloud.wikibase.cloud/query/#PREFIX%20wd%3A%20%3Chttps%3A%2F%2Fcompoundcloud.wikibase.cloud%2Fentity%2F%3E%0APREFIX%20wdt%3A%20%3Chttps%3A%2F%2Fcompoundcloud.wikibase.cloud%2Fprop%2Fdirect%2F%3E%0A%0ASELECT%20%3Fcmp%20%3FcmpLabel%20%3Fxenometabolism%0AWHERE%20%7B%0A%20%20%3Fcmp%20wdt%3AP19%20%3Fxenometabolism%20.%0A%20%20SERVICE%20wikibase%3Alabel%20%7B%20bd%3AserviceParam%20wikibase%3Alanguage%20%22%5BAUTO_LANGUAGE%5D%2Cen%22.%20%7D%0A%7D Compound with known xenobiotic metabolism] | ||
Revision as of 15:29, 5 February 2024
This Wikibase contains information about toxic, safe, and potentially toxic compounds related to the VHP4Safety project. It aggregated public information about them.
A simpler user interface to browse the content is found at https://kb.cloud.vhp4safety.nl/.
Every VHP4Safety partner can get access. Email Egon Willighagen at Maastricht University.
- Hepatotoxins, including aflatoxin B1 (Q1), allyl alcohol (Q9), and amiodarone (Q17)
- Cardiotoxins, including iodoacetamide (Q34), and methotrexate (Q35)
- Renal toxins, including ochratoxin A (Q49)
- Bisphenols, including bisphenol A (Q80) (all bisphenols)
- Organophosphates, e.g. 1,2-dicaproyl-sn-phosphatidyl-L-serine (Q781) (all organophosphates)
- PFAS, e.g. 1,1,1,2,2,3,3-heptafluorobutane (Q4714) (all PFAS)
Queries
The following links are SPARQL queries, taking advantage of the FAIR-ness of this service:
The making of
This Wikibase is populated with the help from cheminformatics tools like the Chemistry Development Kit, Bacting, and public knowledge bases like Wikidata and PubChem.
Funding
VHP4Safety – the Virtual Human Platform for safety assessment project NWA 1292.19.272 is part of the NWA research program ‘Research along Routes by Consortia (ORC)’, which is funded by the Netherlands Organization for Scientific Research (NWO). The project started on June 1, 2021 with a budget of over 10 million Euros and will last for the duration of 5 years.