Datasetpublic

barkingpuppy/pubchem-cid-smiles-title-inchikey-28M

Dataset Description This dataset contains chemical molecular information in SMILES representation and other related metadata, extracted from the PubChem Compound Extras FTP directory. Data Source The SMILES data used to create this dataset can be found from the following PubChem FTP location: PubChem Compound Extras

sourceHugging Facecc0-1.0updated 1y agoView on Hugging Face

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Dataset Description

This dataset contains chemical molecular information in SMILES representation and other related metadata, extracted from the PubChem Compound Extras FTP directory.

Data Source

The SMILES data used to create this dataset can be found from the following PubChem FTP location: PubChem Compound Extras