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Predictor

This node allows to run the models developed on OCHEM. You can run both your private models as well as the publicly available models. The only configuration option is the model identifier.

If you wish to apply your private models, this node requires a connection with the flow variables from the "OCHEM Login node".

Options

Model identifier: The identifier of the model you would like to run. If you do not know the model identifier, you can use the interactive dialog to search models by their names or the endpoints (e.g., by typing "Melting Point", "AMES", "CYP", etc.)

Input Ports

: Input flow variable port for optional login information from Login node.
: Molecular structures

Output Ports

: The predictions by the selecetd model

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Developers

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Installation

To use this node in KNIME, install the extension OCHEM Integration Nodes from the below update site following our NodePit Product and Node Installation Guide:

v4.7

A zipped version of the software site can be downloaded here.

Plugin provider: eADMET GmbH

Plugin version: 2.0.800.qualifier

On NodePit since: 2022-12-06

Last update: 2026-01-01

KNIME versions: From v3.6 to v4.7

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