Tag Results

Items tagged with "r group" (1)

Note: some items may not be visible to you, due to viewing permissions.


Workflows (1)
Uploader

Workflow SAR by Rgroup decomposition (1)

Thumb
This workflow showcases a simple way to use Rgroup decomposition for SAR analysis.Once R-groups are obtained for several sites on the Scaffold, molecular properties like logP, TPSA, number of heavy/hetero-atoms, various kinds of ring counts are calculated.While medicinal chemistry purists may decry calculating properties for fragments/R-groups, correlating these at each site with Ki (or activity) shows up interesting trends.It's immediately apparent if increasing logP at a given site incr...

Created: 2015-09-15

Credits: User Insilicoconsulting

What is this?

Linked Data

Non-Information Resource URI: https://www.myexperiment.org/tags/4514


Alternative Formats

HTML
RDF
XML