Carbon Hybridization

This node calculates the number of sp, sp2, and sp3 carbons using SMARTS queries

Input Ports

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Table that contains at least one column with CDK, SDF, SMILES, CML, or InCHI formatted molecules

Output Ports

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Table with molecules and carbon hybridization counts

Nodes

Extensions

Links

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To use this component in KNIME, download it from the below URL and open it in KNIME:

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On NodePit since: 2020-04-21
Last update: 2024-04-26
Created with KNIME version: v4.1.2

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