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Pharmacophore to molecule

KNIME nodes to read/write pharmacophore files and align them version 1.0.4.v201909241614 by Netherlands eScience Center

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

Options

Pharmacophore column
Column with pharmacophores
Pharmacophore type 2 element mapping
Mapping of each pharmacophore type to an element.

Input Ports

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Table with the pharmacophores

Output Ports

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Table with Pharmacophore as molecule as extra column

Best Friends (Incoming)

Best Friends (Outgoing)

Installation

To use this node in KNIME, install 3D-e-Chem KNIME nodes from the following update site:

KNIME 4.2
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Developers

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