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[DKCOMBU] |
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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] |
*** | CV7 | 0.825 | A1ACE | 0.688 | UU0 | 0.643 | 8W5 | 0.628 |
MOF | 0.609 | A1JMF | 0.578 | YUV | 0.568 | A1JME | 0.565 | 82R | 0.556 |
MUF | 0.556 |