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kjappelbaum / awesome-chemistry-datasets

overview of datasets for ML in chemistry
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Safety Data Sheets #54

Open agitter opened 1 year ago

agitter commented 1 year ago

Logging an idea that came up in the Discord discussion.

https://chemicalsafety.com/sds-search/ provides access individually. Chemical vendors also provide access to individual sheets. I did not yet find an open, bulk dataset.

kjappelbaum commented 1 year ago

not yet find an open, bulk dataset.

Thanks, we can construct one based on PubChem I guess

kjappelbaum commented 1 year ago

at least for sigma they seem to be under consistent URLs such as https://www.sigmaaldrich.com/CH/en/sds/sigma/t1503, where the last part is the product number or https://www.sigmaaldrich.com/CH/en/sds/sigald/319953, where we can get the product number from pubchem