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This Wikibase contains information about toxic, safe, and potentially toxic compounds related to the [https://vhp4safety.nl/ VHP4Safety] project. It aggregated public information about them.
This Wikibase contains information about toxic, safe, and potentially toxic compounds related to the [https://vhp4safety.nl/ VHP4Safety] project. It aggregated public information about them.
A short overview and technical introduction is found in [https://zenodo.org/records/13864849 this presentation].
== Alternative user interface ==
A simpler user interface to browse the content is found at https://kb.cloud.vhp4safety.nl/. Here, you can browse collections and look at the knowledge collected in this wiki about specific compounds.
= More details =


Every VHP4Safety partner can get access. Email Egon Willighagen at Maastricht University.
Every VHP4Safety partner can get access. Email Egon Willighagen at Maastricht University.


* '''Hepatotoxins''', including [[Item:Q1|aflatoxin B1]], [[Item:Q9|allyl alcohol]], and [[Item:Q17|amiodarone]]
* '''Hepatotoxins''', including {{Q|1}}, {{Q|9}}, and {{Q|17}}
* '''Cardiotoxins''', including [[Item:Q34|iodoacetamide]], and [[Item:Q35|methotrexate]]
* '''Cardiotoxins''', including {{Q|34}}, and {{Q|35}}
* '''Renal toxins''', including [[Item:Q49|ochratoxin A]]
* '''Renal toxins''', including {{Q|49}}
* '''Bisphenols''', including [[Item:Q80|bisphenol A]] ([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%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%3AP1%20wd%3AQ57%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%3Ftoxbank all bisphenols])
* '''Bisphenols''', including {{Q|80}} ([https://edu.nl/jhn8x all bisphenols])
* '''Organophosphates''', e.g. [[Item:Q781|1,2-dicaproyl-sn-phosphatidyl-L-serine]] ([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%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%3AP1%20wd%3AQ216%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%3Ftoxbank all organophosphates])
* '''Organophosphates''', e.g. {{Q|781}} ([https://edu.nl/mmhaw all organophosphates])
* '''PFAS''', e.g. {{Q|4714}} ([https://edu.nl/fpfar all PFAS])


'''Queries'''
== Queries ==


The following links are [https://bigcat-um.github.io/SPARQLTutorialBioSB2019/ SPARQL queries], taking advantage of the FAIR-ness of this service:
The following links are [https://bigcat-um.github.io/SPARQLTutorialBioSB2019/ SPARQL queries], taking advantage of the FAIR-ness of this service:


* [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%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://edu.nl/htw9d 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%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://edu.nl/bb7tr VHP4Safety subset] or [https://edu.nl/tquv4 this query]
* [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%3FcollectionLabel%20%28COUNT%28DISTINCT%20%3Fcompound%29%20AS%20%3Fcount%29%20WHERE%20%7B%0A%20%20VALUES%20%3FcollectionType%20%7B%20wd%3AQ52%20wd%3AQ54%20wd%3AQ55%20%7D%0A%20%20%3Fcollection%20wdt%3AP1%20%3FcollectionType%20.%0A%20%20%3Fcompound%20wdt%3AP21%20%3Fcollection%20.%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%3FcollectionLabel%0A%20%20ORDER%20BY%20DESC%28%3Fcount%29 All compound collections]
** [https://edu.nl/prdyr ToxBank Wiki subset]
** [https://edu.nl/hw37g AOP-Wiki Stressor subset]
* [https://edu.nl/4a93m Compound with known xenobiotic metabolism]
* [https://edu.nl/7admp All compound collections]
 
= The making of =
 
This Wikibase is populated with the help from cheminformatics tools like the [https://scholia.toolforge.org/project/Q2383032 Chemistry Development Kit], [https://scholia.toolforge.org/work/Q107332190 Bacting], and public knowledge bases like Wikidata and PubChem.


'''Funding'''
= Funding =


VHP4Safety – the Virtual Human Platform for safety assessment project NWA [https://www.nwo.nl/projecten/nwa129219272 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.
VHP4Safety – the Virtual Human Platform for safety assessment project NWA [https://www.nwo.nl/projecten/nwa129219272 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.

Latest revision as of 05:55, 1 October 2024

This Wikibase contains information about toxic, safe, and potentially toxic compounds related to the VHP4Safety project. It aggregated public information about them.

A short overview and technical introduction is found in this presentation.

Alternative user interface

A simpler user interface to browse the content is found at https://kb.cloud.vhp4safety.nl/. Here, you can browse collections and look at the knowledge collected in this wiki about specific compounds.

More details

Every VHP4Safety partner can get access. Email Egon Willighagen at Maastricht University.

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.