Additional file 3 of Decomposing compounds enables reconstruction of interaction fingerprints for structure-based drug screening
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Additional file 3. ChEMBL data set with reconstructed fingerprints: The file shows for each compound-target complex in our ChEMBL dataset: the compound’s InChiKey, the target’s UniProt ID, and the reconstructed fingerprint.
创建时间：
2022-03-16
