Mastodawn

Identifiers (registration codes) of ampicillin #pubchem #casnumber #ampicillin #chemistry
... Continue to: https://youtube.com/shorts/M3FkrX_YGT0?si=umeXjl9mZAPYky2r

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EikeZiegler Aug 4, 2025

@zotero @jabref @tibosl @tibhannover @TIBopenpub

btw. in case sb searches for #CAS-numbers
#chemicals
and action of @EU_ECHA

here are some alternatives / #EU_based sources available for CAS-numbers ?

#ECHA
#REACH

https://echa.europa.eu/search-for-chemicals

https://chem.echa.europa.eu/
seems to be new

---
has even
#PFAS
https://chem.echa.europa.eu/substance-search?searchText=pfoa&pageIndex=1&pageSize=100

@Umweltbundesamt
@umweltrat

before i used these:
# ncbi
#pubchem

https://pubchem.ncbi.nlm.nih.gov/compound/176

https://www.ncbi.nlm.nih.gov/

Harald Mar 2, 2025

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
- pubchem

etc. 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. 🤦‍♀️

#pubmed #pubchem #mesh

Beilstein-Institut Feb 5, 2025

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

BJOC - Extraction and dissemination of FAIR chemical data

Extraction and dissemination of FAIR chemical data

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El Has Nov 30, 2024

#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

Silicon Dioxide

Silicon Dioxide | SiO2 or O2Si | CID 24261 - structure, chemical names, physical and chemical properties, classification, patents, literature, biological activities, safety/hazards/toxicity information, supplier lists, and more.

Florian Huber Jul 26, 2024

Large SMILES-based Transformer Encoder-Decoder released by @IBM at #icml2024. Trained on 91 million curated SMILES from #pubchem

--> https://github.com/IBM/materials/tree/main/smi-ted

#cheminformatics

materials/smi-ted at main · IBM/materials

Foundation Model for materials. Contribute to IBM/materials development by creating an account on GitHub.

GitHub

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Egon Willighagen May 11, 2024

@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

Egon Willighagen Apr 20, 2024

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