Virtual Computational Chemistry Laboratory

Input data Output results Example List of key words


Keyword of Choice Type

This keyword indicates method that will be used to analyze data. Two methods are currently available for neural network user and can be selected from menu.
fit {0}  Provide neural networks calculations using all available input variables;

pruning {1} Select a best set of variables according to PRUNE keyword.

The best set of input variables is determined by minimum of the RMSE error for the validation set.

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