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

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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

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Whatever the node has produced

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