#pubchem — Public Fediverse posts
Live and recent posts from across the Fediverse tagged #pubchem, aggregated by home.social.
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oh, missed this one! https://doi.org/10.1021/acs.jcim.3c00820
"Most of the information about chemical species are sourced from #PubChem and #ChEBI data on the respective compound Web pages using a software agent, making OntoSpecies a comprehensive semantic database of chemical species able to solve novel types of problems in the field. Access to this reliable source of chemical data is provided through a #SPARQL end point."
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oh, missed this one! https://doi.org/10.1021/acs.jcim.3c00820
"Most of the information about chemical species are sourced from #PubChem and #ChEBI data on the respective compound Web pages using a software agent, making OntoSpecies a comprehensive semantic database of chemical species able to solve novel types of problems in the field. Access to this reliable source of chemical data is provided through a #SPARQL end point."
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oh, missed this one! https://doi.org/10.1021/acs.jcim.3c00820
"Most of the information about chemical species are sourced from #PubChem and #ChEBI data on the respective compound Web pages using a software agent, making OntoSpecies a comprehensive semantic database of chemical species able to solve novel types of problems in the field. Access to this reliable source of chemical data is provided through a #SPARQL end point."
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oh, missed this one! https://doi.org/10.1021/acs.jcim.3c00820
"Most of the information about chemical species are sourced from #PubChem and #ChEBI data on the respective compound Web pages using a software agent, making OntoSpecies a comprehensive semantic database of chemical species able to solve novel types of problems in the field. Access to this reliable source of chemical data is provided through a #SPARQL end point."
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oh, missed this one! https://doi.org/10.1021/acs.jcim.3c00820
"Most of the information about chemical species are sourced from #PubChem and #ChEBI data on the respective compound Web pages using a software agent, making OntoSpecies a comprehensive semantic database of chemical species able to solve novel types of problems in the field. Access to this reliable source of chemical data is provided through a #SPARQL end point."
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Identifiers (registration codes) of ampicillin #pubchem #casnumber #ampicillin #chemistry
... Continue to: https://youtube.com/shorts/M3FkrX_YGT0?si=umeXjl9mZAPYky2r -
Die Experten, die jetzt in den USA das Sagen haben, haben offenbar die Webseite des National Institute of Health, nih.gov, kaputt gemacht. Das ist nicht nur deren Gesundheitsbehörde. Dazu gehören auch sowas wie:
- pubmed
- MeSH
- pubchemetc. Webseiten mit Datenbanken zu biologischer und medizinischer Forschung ohne die seit Jahrzehnten kein Biologe oder Mediziner auch nur eine Veröffentlichung schreiben kann. Lest Details nach auf Wikipedia. 🤦♀️
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We streamline the discoverability of published research by incorporating machine-readable chemical information. This enables #FAIRdata - without extra effort from the authors, and of course, at no charge to authors or readers.
🔗 https://www.beilstein-journals.org/bjoc/news/LAFGBV6PT5ASC5R7JOKSEXOQYM?M=y
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#PubChem says #SiliconDioxide is a cause of silicosis (lung fibrosis), and increased risk of lung cancer. Accurate diagnosis relies on the absence of miliary tuberculosis and fungal infections, and you need proof of history of sufficient exposure. Apparently it also causes kidney disease.
Scroll down past the hazmap section to find "Silica, amorphous (7631-86-9) is [conveniently] not classifiable as to carcinogenicity to humans." #Carcinogen https://web.archive.org/web/20241130103831/https://pubchem.ncbi.nlm.nih.gov/compound/Silicon-Dioxide#section=Safety-and-Hazards
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@schymane fairly happy with the results! This was batch 6, each 150,000 structures, which explains why it would have some 50,000 new structures? #pubchem #wikidata #chemistry
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this is not an easy pathway to develop :/ The literature has drawings (no SMILES, no InChI) and I need to double check the correctness of the structures and link them to the experimental identification (e.g. of stereochem). Not all structures are even in #PubChem! I just added one to #wikidata (so that it will show up in PubChem soon)
https://classic.wikipathways.org/index.php/Pathway:WP5425 #mycotoxin @wikipathways #chemistry -
my lightning talk from the #RDKitUGM2023 is now on YouTube - all about making your work that uses datasets derived from ChEMBL more reproducible
📺 Video: https://youtu.be/PY-xaoRoSOY?list=PLugOo5eIVY3ExzpyKll6GGz4FRgBD2qzN&t=28
📜 Slides: https://bit.ly/cth-rdkit-ugm-2023
🤖 Code/Docs: https://github.com/cthoyt/chembl-downloader
Get started with: pip install chembl-downloader
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my lightning talk from the #RDKitUGM2023 is now on YouTube - all about making your work that uses datasets derived from ChEMBL more reproducible
📺 Video: https://youtu.be/PY-xaoRoSOY?list=PLugOo5eIVY3ExzpyKll6GGz4FRgBD2qzN&t=28
📜 Slides: https://bit.ly/cth-rdkit-ugm-2023
🤖 Code/Docs: https://github.com/cthoyt/chembl-downloader
Get started with: pip install chembl-downloader
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my lightning talk from the #RDKitUGM2023 is now on YouTube - all about making your work that uses datasets derived from ChEMBL more reproducible
📺 Video: https://youtu.be/PY-xaoRoSOY?list=PLugOo5eIVY3ExzpyKll6GGz4FRgBD2qzN&t=28
📜 Slides: https://bit.ly/cth-rdkit-ugm-2023
🤖 Code/Docs: https://github.com/cthoyt/chembl-downloader
Get started with: pip install chembl-downloader
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my lightning talk from the #RDKitUGM2023 is now on YouTube - all about making your work that uses datasets derived from ChEMBL more reproducible
📺 Video: https://youtu.be/PY-xaoRoSOY?list=PLugOo5eIVY3ExzpyKll6GGz4FRgBD2qzN&t=28
📜 Slides: https://bit.ly/cth-rdkit-ugm-2023
🤖 Code/Docs: https://github.com/cthoyt/chembl-downloader
Get started with: pip install chembl-downloader
-
my lightning talk from the #RDKitUGM2023 is now on YouTube - all about making your work that uses datasets derived from ChEMBL more reproducible
📺 Video: https://youtu.be/PY-xaoRoSOY?list=PLugOo5eIVY3ExzpyKll6GGz4FRgBD2qzN&t=28
📜 Slides: https://bit.ly/cth-rdkit-ugm-2023
🤖 Code/Docs: https://github.com/cthoyt/chembl-downloader
Get started with: pip install chembl-downloader
