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Boron to iodide transformation

I wanted to convert all the boron speciesto a standard atom. I was looking to do adiversity selection and I didn't want thedifferent boron species to impact thefingerprints.Another way to handle is create an rootedfingerprint excluding the atoms containedin the boron species.Thanks to elsamuel for the assistance onthis work. Node 3Covers all boron speciestestfileof boron couplingreagentsNode 83Node 92SMARTSOptionsfor same threeaboveNode 94Node 95Node 96Node 97Node 98Node 99Node 100Node 101Node 102Node 103Node 104Node 105covers boronate and boronic acidscovers trifluoroborates RDKit From Molecule Molecular Sketcher SDF Reader RDKit ChemicalTransformation RDKit ChemicalTransformation Table Creator RDKit GenerateCoords RDKit GenerateCoords RDKit ChemicalTransformation RDKit GenerateCoords RDKit ChemicalTransformation RDKit GenerateCoords Row Splitter Row Splitter RDKit GenerateCoords RDKit ChemicalTransformation RDKit ChemicalTransformation RDKit GenerateCoords Molecular Sketcher Molecular Sketcher I wanted to convert all the boron speciesto a standard atom. I was looking to do adiversity selection and I didn't want thedifferent boron species to impact thefingerprints.Another way to handle is create an rootedfingerprint excluding the atoms containedin the boron species.Thanks to elsamuel for the assistance onthis work. Node 3Covers all boron speciestestfileof boron couplingreagentsNode 83Node 92SMARTSOptionsfor same threeaboveNode 94Node 95Node 96Node 97Node 98Node 99Node 100Node 101Node 102Node 103Node 104Node 105covers boronate and boronic acidscovers trifluoroborates RDKit From Molecule Molecular Sketcher SDF Reader RDKit ChemicalTransformation RDKit ChemicalTransformation Table Creator RDKit GenerateCoords RDKit GenerateCoords RDKit ChemicalTransformation RDKit GenerateCoords RDKit ChemicalTransformation RDKit GenerateCoords Row Splitter Row Splitter RDKit GenerateCoords RDKit ChemicalTransformation RDKit ChemicalTransformation RDKit GenerateCoords Molecular Sketcher Molecular Sketcher

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Created by: jochoada
Created at: 2022-12-02
On NodePit since: 2022-12-07
Last update: 2024-04-18
Created with KNIME version: v4.6.3

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