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The average number of ON bits in b-QAFFPs calculated for HET set compounds
| no AD | AD | |||||||
|---|---|---|---|---|---|---|---|---|
| Cutoff | 5 | 6 | 7 | 8 | 5 | 6 | 7 | 8 |
| Average [%] | 92.5 | 53.5 | 14.5 | 1.6 | 71.1 | 39.4 | 10.4 | 1.2 |
| Average [count] | 407 | 235 | 64 | 7 | 313 | 174 | 46 | 5 |
Model AD was estimated by an ICP with the confidence level of 90% and the maximum interval width, that distinguishes whether the prediction is reliable enough, was set to ± 2.0. Affinities predicted to lie outside model AD were encoded by zeros. b-QAFFP is 440 bits long
