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Similarity values of the compounds in the test set
| prediction concordance | similarity score 1 | number of compounds |
|---|---|---|
| True negative (TN) | 0.828 +/- 0.075 | 10 |
| True positive (TP) | 0.829 +/- 0.089 | 39 |
| False positive (FP) | 0.717 +/- 0.062 | 7 |
| False negative (FN) | 0.716 +/- 0.087 | 2 |
| Correctly predicted | 0.829 +/- 0.085 | 49 |
| Incorrectly predicted | 0.717 +/- 0.062 | 9 |
1. Average of the averages for similarity values of the three most similar compounds (mean +/- standard deviation).
