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03 Analysis

This directory contains 2 workflows.

IconDescriptor Calculation 

<p><strong>Molecular Descriptor / Property Calculation</strong></p><p>This workflow highlights two different free extensions for the calculation of […]

IconFingerprint Generation and Comparison 

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