Table 4.
The pair correlation coefficient (R2) and the variance inflation factor (VIF) for the 6 descriptors at the training and total set for W2 model
Mor20p | MATS7m | RDF020m | MLOGP | BEHm3 | Mor23u | VIF | |
---|---|---|---|---|---|---|---|
Mor20p | |||||||
Training set | 1.00 | 1.63 | |||||
Total seta | 1.00 | 2.67 | |||||
MATS7m | |||||||
Training set | 0.00 | 1.00 | 1.62 | ||||
Total seta | 0.00 | 1.00 | 1.64 | ||||
RDF020m | |||||||
Training | 0.02 | 0.01 | 1.00 | 1.56 | |||
Total seta | 0.011 | 0.00 | 1.00 | 1.41 | |||
MLOGP | |||||||
Training set | 0.15 | 0.18 | 0.07 | 1.00 | 1.91 | ||
Total seta | 0.04 | 0.20 | 0.01 | 1.00 | 1.55 | ||
BEHm3 | |||||||
Training set | 0.01 | 0.08 | 0.19 | 0.00 | 1.00 | 1.34 | |
Total seta | 0.38 | 0.00 | 0.01 | 0.14 | 1.00 | 2.24 | |
Mor23u | |||||||
Training set | 0.14 | 0.13 | 0.00 | 0.00 | 0.01 | 1.00 | 1.38 |
Total seta | 0.39 | 0.19 | 0.07 | 0.00 | 0.15 | 1.00 | 2.21 |
aTotal set: total of training, validation and test sets