Table 7.
Percent correct, <PC>S, for each set when the top Sampling/ACS protocol is identified for that set based on the available data following which the FragMap scaling factors are optimized using the presented machine learning protocol.
| SILCS Default FragMap Scoring | ML Reweighted FragMap Scoring | |||
|---|---|---|---|---|
| System | Sampling Protocol | ACS | <PC>S | <PC>S |
| FXR-GSK | Exhaustive rLP = 10 Å | GAX18 | 0.64 | 0.73 |
| HDM2-Turiso | Exhaustive rLP = 10 Å | GAS18 | 0.72 | 0.75 |
| HSP90-Abbvie | Local | GAX18 | 0.63 | 0.64 |
| MCL1-Fletcher | Exhaustive rLP = 5 Å | GAX18 | 0.82 | 0.87 |
| MCL1-Friberg | Exhaustive rLP = 10 Å | GAX18 | 0.84 | 0.85 |
| P38 Goldstein | Exhaustive rLP = 10 Å | GAX18 | 0.68 | 0.78 |
| TRMD-GSK | Local | GAX18 | 0.69 | 0.79 |
| TYK2 Liang | Local | SS18 | 0.71 | 0.70 |
| Average | 0.72 | 0.76 |