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Not all compounds in jump-cellpainting/datasets have ChEMBL IDs #2

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shntnu opened this issue Feb 14, 2023 · 0 comments

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shntnu commented Feb 14, 2023

List of InChIKeys: https://github.com/jump-cellpainting/datasets/blob/0682dd2d52e4d68208ab4af3a0bd114ca557cb0e/metadata/compound.csv.gz

30072/116753 = 25% of those InChIKeys are found in ChEMBL

Do you know if this is (relatively low) fraction expected @lewismervin1?

Please see the README for details

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