1clickscaffoldhop
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Table of Contents
1-Click Scaffold Hop
Identify completely new active scaffolds and leads with a single click!
Scaffold hopping: identifying novel and diverse scaffolds starting from a single reference ligand 1-Click Scaffold Hop is the simplest online solution for scaffold hopping.
When to use
Hit identification: find novel actives by using a single reference ligand (ligand-based virtual screening)
Lead optimization: replace parts of lead molecules to fix IP, toxicity, selectivity, pharmacokinetic issues
How to use
Draw a known active ligand and jump to a new active scaffold by clicking on Scaffold Hop! To understand why the two molecules are similar click on “Visualize similarity” when browsing the results. To purchase any of the hits click on the orange “Quote” buttons. Click here for a tutorial video.
Results
1clickscaffoldhop.1362516144.txt.gz · Last modified: 2013/03/05 20:42 by rkiss