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Pharmacophore from molecule

KNIME nodes to read/write pharmacophore files and align them version 1.0.2.v201807051230 by Netherlands eScience Center

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

No description for this port available.

Output Ports

Table with the molecules

Best Friends (Incoming)

Best Friends (Outgoing)

Update Site

To use this node in KNIME, install KNIME nodes to read/write pharmacophore files and align them from the following update site:

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