Table A1.
Two-tailed t-test with a hypothesized zero mean difference for the three datasets considering the best result among 10 replicas between genetic algorithms (GA) and random search (RS) on 3-fold cross validation. Variances were assumed unequal only for Tox21 (p-value of F test 0.007).
| NURA (GA, RS) | ClinTox (GA, RS) | Tox21 (GA, RS) | |
|---|---|---|---|
| Mean | 94.1, 93.4 | 91.0, 88.5 | 74.6, 73.0 |
| Variance | 0.001, 0.003 | 0.023, 0.037 | 0.004, 0.023 |
| Pooled Variance | 0.002 | 0.031 | - |
| Degrees of freedom | 18 | 18 | 12 |
| t value | 3.643 | 3.214 | 3.104 |
| P(t ≤ t) two-tail | 0.002 | 0.005 | 0.009 |
| t critical (95%) | 2.101 | 2.101 | 2.179 |