1clickscaffoldhop
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Table of Contents
1-Click Scaffold Hop
Identify completely new active scaffolds and leads with a single click!
1-Click Scaffold Hop is the simplest online solution for scaffold hopping. Scaffold hopping: identifying novel and diverse scaffolds starting from a single reference ligand
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. Click here for a tutorial video.
Results
1clickscaffoldhop.1360054144.txt.gz · Last modified: 2013/02/05 08:49 by rkiss