PurchasableBoX: a freely available compilation of purchasable compounds

Pharmaceutical Bioinformatics Group --- Albert-Ludwigs University Freiburg

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If you use any of the provided files for your research, please cite:
"The Purchasable Chemical Space: A Detailed Picture", Lucas X., Grüning B.A., Bleher S., Günther S., 2015, J. Chem. Inf. Model., DOI: 10.1021/acs.jcim.5b00116

Entire or partial redistribution of the compounds without agreement from the authors is strictly forbidden.

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Data set (currently provided as flat SMILES-formatted file):

---> Complete data set (37,702,435 unique compounds) --- Download (zip file)

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