#pubchem — Public Fediverse posts

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."

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

#InChI #openscience #PubChem

#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

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

#cheminformatics #chemoinformatics #chembl #pubchem