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Standard deviation in prediction (SDEPCV in kJ mol−1) and correlation metrics for benzimidazole compounds of the literature test set for all test set benzimidazole predictions (All), and as specified per subsets of test compounds with indicated CI scores
| n | SDEPCV | r Pearson | ρ Spearman | |
|---|---|---|---|---|
| All | 23 | 5.9 | 0.64 | 0.56 |
| CI = 0 | 8 | 5.0 | 0.79 | 0.71 |
| CI = 1 | 6 | 6.8 | 0.59 | 0.71 |
| CI = 2 | 9 | 6.1 | 0.61 | 0.37 |
| CI = 3 | 0 | – | – | – |
| CI = 4 | 0 | – | – | – |
| CI = 5 | 0 | – | – | – |
