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threshold chemical similarty (tanimoto coefficient) |
[0.5] [0.6] [0.7] [0.8] [0.9] [1.0] | max number of compounds | [1] [5] [10] [20] [30] [40] [50] |
compound | similarity | compound | similarity | compound | similarity | compound | similarity | compound | similarity |
query [2D] [3D] |
*** | 4WI | 1.000 | 9I7 | 1.000 | ZGW | 1.000 | OW1 | 0.944 |
90H | 0.850 | M0C | 0.810 | 8I7 | 0.795 | I1Z | 0.775 | 7DI | 0.750 |
T2L | 0.739 |