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Public

This directory contains 85 workflows.

Iconfixed 

IconHeader Line Break in Table Editor 

IconIdentify_​fragments_​multifragment_​structure 

IconJob config fetching 

There has been no description set for this workflow's metadata.

Iconk-means-similarity-matrix-preprocessing 

There has been no title set for this workflow's metadata. There has been no description set for this workflow's metadata.

IconRead SDF in a loop 

IconRetrieve ChEMBL ID from SMILES 

There has been no description set for this workflow's metadata.

IconSanitizing query SMARTS 

In the last snippet we have shown how to align molecules according to drawn SMARTS. This works fine just like this in some cases, but especially for […]

IconSerial transformation of a molecule 

<p><a target="_blank" rel="ugc noopener noreferrer nofollow" href="https://forum.knime.com/t/rdkit-chemical-transformation-node/90119" draggable="false" […]

IconWebportal - Compound Exploration 

Webportal - Compound Exploration If run on the Webportal, this workflow is a simple interactive web app helping to explore potential compounds. First, the […]