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Variation of the number of compounds in the active dataset showing overlap (indicated by max Tanimoto similarity > 0.5) with increasing inactive cutoff.
| Active cutoff (µM) | Inactive cutoff (µM) | No. of actives | No. of inactives | Max Tanimoto similarity > 0.5 |
|---|---|---|---|---|
| 1 | 1 | 2,219 | 1,591 | 1,112 |
| 1 | 2 | 2,256 | 1,311 | 847 |
| 1 | 3 | 2,279 | 1,181 | 737 |
| 1 | 4 | 2,285 | 1,074 | 671 |
| 1 | 5 | 2,288 | 1,007 | 611 |
| 1 | 6 | 2,296 | 955 | 604 |
| 1 | 7 | 2,299 | 915 | 581 |
| 1 | 8 | 2,302 | 874 | 574 |
| 1 | 9 | 2,306 | 852 | 548 |
| 1 | 10 | 2,308 | 345 | 359 |
