Figure 6 The architectural diagram of the ANN model for
predicting pKa values
Figure 7 ANN performance improvement diagram
Figure 8 shows the plot of outputs with respect to the targets for the
training, validation and testing processes. The line is an ideal
trendline in which the ANN predicted values should equal the
experimental values. Roverall was found to be 0.99424
(Figure 8), as a result, the ANN predicted values were in good agreement
with the experimental data.