Erlwood Knime Open Source Cheminformatics version 4.0.0.v201906261333 by Erlwood
Calculates the Plane of Best Fit (PBF) value for a molecule or series of molecules. Follows the method outlined by Nicholas C. Firth, Nathan Brown, and Julian Blagg from the The Institute of Cancer Research and included in RDKit. Further details can be found at http://pubs.acs.org/doi/abs/10.1021/ci300293f.
To use this node in KNIME, install Erlwood Knime Open Source Cheminformatics from the following update site:
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