Systematic Design Of Analogs Of Active Compounds Covering More Than 1000 Targets
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The analog database consisting of 1,297,204 virtual compounds is provided. Virtual compounds are reported in SMILES representation. In addition, for each virtual compound all available ChEMBL analogs (CHEMBL_COMPOUND_ID) and their activities (CHEMBL_TARGET_IDs) are given.
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Zenodo创建时间：
2016-02-09
