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Bioactivity Predictor

This plugin allows for selection of one of several models for prediction of the bioactivity of input molecules with respect to a number of targets. Trained models can be downoaded from: WEBSITE

Options

The API key for model access: Please email cto@aiainsights.com for a trial AIA Insights account and an API token
CSV output file folder: Provide a folder path if you'd like to save the predictions in a .csv format

Input Ports

: The input should be a table containing a SMILES column and an ID column. This can be achieved by passing .smi files or directlyinputting the molecule data into the AIA smiles reader extension plugin. Custom table inputs are supported, but when writng to

Output Ports

: Whatever the node has produced

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Installation

To use this node in KNIME, install the extension AIA Insights Bioactivity Predictor from the below update site following our NodePit Product and Node Installation Guide:

v5.1

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

Plugin provider: AIA Insights, Birmingham, UK

Plugin version: 0.1.0.202310190222

On NodePit since: 2023-10-08

Last update: 2026-01-01

KNIME versions: From v5.1 to v5.1

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