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Bioactivity Predictor SMILE reader/formatter

Missing description.

Options

Input molecules or molecule source: The input molecules may be provided as a string (format: SMILE_1, ID_1; SMILE2_2, ID_2...SMILE_N, ID_N) or path to a .smi file or folder containing .smi files. The smiles files may contain single smiles (if providing a directory only) or multiple SMILE-ID pairs, separated by a separator chosen in the 'Separator for smile file(s) option'
Separator for smile file(s): If providing a file path to a .smi file, select the separator

Input Ports

This node has no input ports

Output Ports

: A table of molecule SMILES strings, with IDs in a format readable for bioactivity predictor

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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: 2025-08-14

KNIME versions: From v5.1 to v5.1

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