Differences

This shows you the differences between two versions of the page.

--- 1clickscaffoldhop [2013/03/05 20:42] – [How to use] rkiss
+++ 1clickscaffoldhop [2024/04/09 08:32] (current) – removed rkiss
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-====== 1-Click Scaffold Hop ======
-=== Identify completely new active scaffolds and leads with a single click! ===
-**[[http://www.youtube.com/watch?v=_T2Vx-LM6Bw|WATCH TUTORIAL VIDEO!]]**
-{{:1click_sh.png?800|}}
-Scaffold hopping: identifying novel and diverse scaffolds starting from a single reference ligand
-[[https://mcule.com/apps/1-click-scaffold-hop|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. **[[http://www.youtube.com/watch?v=_T2Vx-LM6Bw|Click here]]** for a tutorial video.
-====== Results ======
-{{:1click_sh_results2.png?800|}}