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MolConverter

StreamableChemAxon/Infocom Marvin Extensions version 4.3.0.v202000 by Infocom Corporation

MolConverter converts between various data types.

Options

Structure column: The column in the input data table containing structure in Structure(Mrv, Sdf, Smiles, etc.) format.

Input Ports

: Input table that contains structure in Structure(Mrv, Sdf, Smiles, etc.) format.

Output Ports

: Output table that contains converted structure in Structure(Mrv, Sdf, Smiles, etc.) format.

Best Friends (Incoming)

Molecule Type Cast (15 %) Streamable
MarvinSketch (11 %)
SDF Reader (9 %)
Column Filter (4 %) Streamable
Row Filter (4 %) Streamable
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Best Friends (Outgoing)

SDF Writer (12 %)
RDKit From Molecule (5 %)
~~CSV Writer~~ (4 %) StreamableDeprecated
MarvinView (4 %)
Column Filter (4 %) Streamable
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Workflows

01_Example_for_using_MoSS (KNIME Hub)
01_Example_for_using_MoSS (KNIME Hub)
01_Example_for_using_MoSS (KNIME Hub)
BindingDB_FMCT-Fingerprint,batch (KNIME Hub)
BindingDB_FMCT-Fingerprint+MCS (KNIME Hub)
Show all 11 workflows

Installation

To use this node in KNIME, install ChemAxon/Infocom Marvin Extensions Feature from the following update site:

KNIME 4.3

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Developers

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