ChemNeuro
(Japanese only)
Estimation of dE by Neural Networks
We examined dE by using neural networks. This method shows much better result compared to PPP method. And much much faster than MO method.
Please pull down and select functional group.
Calculation result of PPP method. Correlation factor is 0.97873, not so good. It is said, worse result come from Hydrogen bonding (2,2' position).
