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. 2017 Sep 6;4(9):170516. doi: 10.1098/rsos.170516

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