Table 5 Tanimoto similarity search performance: hits with at least 90% similarity
SMILES | First page (s) | Second page (s) | Hits |
|---|---|---|---|
CC1(C)Cc2ccccc2/C(=C/C(=O)NC2CCCCC2)/N1 | 0.40 | - | 3 |
COc1ccc(NC([C@H]2CC(O[C@H]2C) = O) = O)cc1 | 0.40 | 0.32 | 11 |
C[C@H](CCC)C[C@@H](C[NH3+])c1cc[n]cc1 | 0.41 | 0.20 | 17 |