Additional file 3 of “Molecular Anatomy”: a new multi-dimensional hierarchical scaffold analysis tool
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Additional file 3: Table S2. Dataset of 816 COX-2 inhibitors reported in Table S1; each compound and the related nine molecular representations are encoded as canonical SMILES and InChIKey and are listed as single rows. From this list, Tables S3 and S4 are generated.
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figshare
创建时间：
2021-07-24
