XLogP

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.

Options

Molecule column: Select the column containing the molecular structure.

Input Ports

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

Output Ports

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

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v5.2

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Plugin provider: KNIME GmbH, Konstanz and EMBL-EBI, Cambridge

Plugin version: 1.5.700.v202307261251

On NodePit since: 2023-12-06

Last update: 2024-04-26

KNIME versions: v5.2, v5.1, v4.7, v4.6, v4.5, v4.4, v4.3, v4.2, v4.1, v4.0, v3.7, v3.6

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