Virtual Computational Chemistry Laboratory

Input data Output results Example List of key words



DISTANCE

Keyword of Integer Type

This keyword indicates distance measure for the k-nearest neighbor correction used in ASNN. The available options are:

  flat {0}  -- all nearest neighbors, Ki, contribute equally.
1/(r*r){1} -- A weighted contribution Ki/(ri*ri) is used, where ri is Spearman rank correlation coefficient.
Parzen) {2} -- Parzen window correction is used as exp(-ALPHA*ALPHA/(ri*ri))

The maximal number of neighbors is given by the KNN parameter.

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