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extras

This directory contains 9 workflows.

Icon02_​R_​Group_​Decomposition_​heatmap 

Icon06_​Find_​Scaffolds_​And_​Sidechains 

Demonstrates use of RDKit functionality to identify the likely scaffold for a set of compounds from a paper and then determine the sidechains from the […]

IconClustering_​DataApp 

IconClustering_​Saving_​with_​Loops 

IconFingerprint Generation and Comparison 

URL: Morgan algorithm http://pubs.acs.org/doi/abs/10.1021/ci100050t URL: RDKit Fingerprints […]

IconFlow Variable Example 

Solution for "Flow Variable" exercise for advanced Life Science User Training - Filtering rows by an attribute value - Filtering rows by an attribute value […]

IconHiliting Demonstration 

<h1>Hiliting Example</h1><p>This Workflow demonstrates the importance of selecting Hiliting in Composite views that use aggregated data.</p>

Iconsliders-example 

Iconworking in 3D 

<p>This generates a 3D structure for my template. If you have your own 3D structure already, you can just read it in as an SDF or MOL and work with that</p>