Skip to main content

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

From: Quantitative structure–activity relationship to predict the anti-malarial activity in a set of new imidazolopiperazines based on artificial neural networks

  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
  1. aTotal set: total of training, validation and test sets