Pharmacophore from molecule

Generate pharmacophore from molecule by mapping atoms to pharmacophore points. The generate pharmacophore will not contain the alpha and normal information.

Options

Molecule column: Column with molecules in SDF/Mol format
Pharmacophore type 2 element mapping: Mapping of each pharmacophore type to an element.

Input Ports

: Table with the molecules

Output Ports

: Table with Molecule as pharmacophore as extra column

Views

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Workflows

3D-e-Chem extension testKNIME Hub

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Installation

To use this node in KNIME, install the extension 3D-e-Chem KNIME nodes from the below update site following our NodePit Product and Node Installation Guide:

v5.9

Plugin provider: Netherlands eScience Center

Plugin version: 1.0.5.v202507210712

On NodePit since: 2025-12-11

Last update: 2026-01-06

KNIME versions: v5.9, v5.8, v5.7, v5.6, v5.5, v5.3, v5.2, v5.1, v4.7, v4.6, v4.5, v4.4, v4.3, v4.2, v4.1, v4.0, v3.7, v3.6

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