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.
创建时间：
2021-07-23
