Table 3. Pairwise comparisons of RFMQA against individual potential energy terms for five fold cross-validation.
dDFIRE | GOAP | DFIRE | Rwplus | OPUS | |
Gain | 105 | 108 | 127 | 107 | 130 |
Loss | 74 | 88 | 70 | 77 | 66 |
Equal | 50 | 33 | 32 | 45 | 33 |
Note: The first row represents the number of models selected by RFMQA that are better than those selected by the potential energy term indicated (Gain). The second row represents the number of models selected by RFMQA worse (Loss) and the third row represents the number of models in tie (Equal).