XLogP

Other

Prediction of logP based on the atom-type method called XLogP, for details of the methodology see
Wang, R., Fu, Y., and Lai, L. A New Atom-Additive Method for Calculating Partition Coefficients, Journal of Chemical Information and Computer Sciences. vol. 37. 1997, pp. 615-621.

Input Ports

  1. Type: Data
    Table containing molecular structure based on which the logP shall be computed.

Output Ports

  1. Type: Data
    As input but with one additional column containing the XLogP value.

Extension

This node is part of the extension

KNIME-CDK

v1.5.600

Short Link

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