Table 4.
Validation of the QSAR models for A. niger and P. citrinum.
training set | N | R2(fit) | F(fit) | s2(fit) | test set | N | R2(pred) | F(pred) | s2(pred) |
---|---|---|---|---|---|---|---|---|---|
validation for the model of A. niger | |||||||||
a + b | 14 | 0.9410 | 35.88 | 0.0023 | c | 7 | 0.8692 | 39.84 | 0.0207 |
a + c | 14 | 0.9678 | 67.68 | 0.0013 | b | 7 | 0.8629 | 37.75 | 0.0281 |
b + c | 14 | 0.9367 | 33.31 | 0.0020 | a | 7 | 0.9283 | 77.73 | 0.019 |
average | 14 | 0.9485 | 45.62 | 0.0019 | average | 7 | 0.8868 | 51.77 | 0.0226 |
D | 16 | 0.9509 | 53.21 | 0.0016 | d | 5 | 0.8770 | 28.53 | 0.0252 |
validation for the model of P. citrinum | |||||||||
a + b | 14 | 0.9623 | 57.39 | 0.0021 | c | 7 | 0.9485 | 110.52 | 0.0156 |
a + c | 14 | 0.9600 | 53.94 | 0.0021 | b | 7 | 0.9334 | 84.05 | 0.0188 |
b + c | 14 | 0.9711 | 75.54 | 0.0014 | a | 7 | 0.9235 | 72.43 | 0.0224 |
average | 14 | 0.9645 | 62.29 | 0.0019 | average | 7 | 0.9351 | 89.00 | 0.0189 |
D | 16 | 0.9606 | 66.97 | 0.0020 | d | 5 | 0.8934 | 33.53 | 0.0264 |