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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. |
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| A simpler user interface to browse the content is found at https://kb.cloud.vhp4safety.nl/. | | A short overview and technical introduction is found in [https://zenodo.org/records/13864849 this presentation]. |
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| | == Alternative user interface == |
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| | 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. |
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| | = More details = |
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| Every VHP4Safety partner can get access. Email Egon Willighagen at Maastricht University. | | Every VHP4Safety partner can get access. Email Egon Willighagen at Maastricht University. |
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| * '''Cardiotoxins''', including {{Q|34}}, and {{Q|35}} | | * '''Cardiotoxins''', including {{Q|34}}, and {{Q|35}} |
| * '''Renal toxins''', including {{Q|49}} | | * '''Renal toxins''', including {{Q|49}} |
| * '''Bisphenols''', including {{Q|80}} ([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. {{Q|781}} ([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://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%3AQ2063%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 PFAS]) | | * '''PFAS''', e.g. {{Q|4714}} ([https://edu.nl/fpfar all PFAS]) |
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| '''Queries'''
| | == Queries == |
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| 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: |
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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://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%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://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%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/prdyr 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://edu.nl/hw37g AOP-Wiki Stressor 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%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/4a93m Compound with known xenobiotic metabolism] |
| | * [https://edu.nl/7admp All compound collections] |
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| '''The making of'''
| | = The making of = |
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| 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. | | 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. |
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| '''Funding'''
| | = Funding = |
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| 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. |
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.
- 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.