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Runner

Alvascience alvaRunner Plugin version 1.0.0 by Alvascience Srl

alvaRunner is a software tool to apply Quantitative Structure Activity/Property Relationship (QSAR/QSPR) regression models on a set of molecules. These models can be used to predict the biological, physicochemical and environmental properties of chemicals. Without the need of any other software tool, alvaRunner calculates the descriptors and fingerprints needed in order to apply the given QSAR/QSPR regression models.

Options

alvaRunner (CLI) file path: Enter alvaRunner (CLI) file
alvaRunner project: Enter the alvaRunner project file

Input Ports

: Table containing molecules in SMILES, MDL or SYBYL format

Output Ports

: Table containing the calculated output.

Views

Log: Log content

Installation

To use this node in KNIME, install Alvascience alvaRunner from the following update site:

KNIME 4.3

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Developers

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