Artificial Neural Network Based Quantitative Structural ...
The optimal QSPR model was developed based on a 4-4–1 artificial neural network architecture using molecular descriptors calculated from molecular structure alone. The root mean square errors (RMSE) in normal boiling points predictions were 4.46°C for the training set, 3.86°C for the validation set and 4.99 °C for the prediction set. ................
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