This node is currently not available in KNIME v5.9 — instead we’re showing this page for KNIME v5.1. You can use the version menu in the title bar to permanently switch your preferred version. This will also show the link to the update site.

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

Popular Predecessors

No recommendations found

Popular Successors

No recommendations found

Views

This node has no views

Workflows

No workflows found

Developers

You want to see the source code for this node? Click the following button and we’ll use our super-powers to find it for you.

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

Deploy, schedule, execute, and monitor your KNIME workflows locally, in the cloud or on-premises – with our brand new NodePit Runner.

Try NodePit Runner!