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usecase1csh [2013/10/09 08:35] – created rkissusecase1csh [2013/12/02 22:26] – link to 1-click scaffold hop's page sanmark
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 ====== Generate new ideas and eliminate problematic parts by 1-Click Scaffold Hop ====== ====== Generate new ideas and eliminate problematic parts by 1-Click Scaffold Hop ======
  
-Scaffold hopping is about finding novel active ligands structurally different from a reference ligand (query). Scaffold hopping can be particularly useful during lead optimization to generate new ideas or to eliminate particular parts of your hit/lead to fix IP, toxicity, selectivity or pharmacokinetic issues. 1-Click Scaffold Hop is searching different subsets of **[[purchasable|Purchasable compounds]]** +Scaffold hopping is about finding novel active ligands structurally different from a reference ligand (query). Scaffold hopping can be particularly useful during lead optimization to generate new ideas or to eliminate particular parts of your hit/lead to fix IP, toxicity, selectivity or pharmacokinetic issues. [[1clickscaffoldhop|1-Click Scaffold Hop]] is searching different subsets of **[[purchasable|Purchasable compounds]]** 
 that might be structurally different but share pharmacophore properties with those of the query. that might be structurally different but share pharmacophore properties with those of the query.
  
-1. Go to **[[http://mcule.com/apps/1-click-scaffold-hop|LEAD OPTIMIZATION / 1-CLICK SCAFFOLD HOP]]**+1. Go to **[[https://mcule.com/apps/1-click-scaffold-hop/|LEAD OPTIMIZATION / 1-CLICK SCAFFOLD HOP]]**
  
-2. Depending on your **[[http://mcule.com/pricing|Price plan]]**, you can choose from input collections with different sizes+2. Depending on your **[[https://mcule.com/pricing/|Price plan]]**, you can choose from input collections with different sizes
  
 3. Specify your existing hit / lead / reference ligand (either by drawing or by providing a chemical identifier such as mcule ID, SMILES, InChI or InChIKey) 3. Specify your existing hit / lead / reference ligand (either by drawing or by providing a chemical identifier such as mcule ID, SMILES, InChI or InChIKey)
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 7. Remember that all displayed hits are purchasable. To order any of them, click on the orange **"QUOTE"** buttons. 7. Remember that all displayed hits are purchasable. To order any of them, click on the orange **"QUOTE"** buttons.
  
-8. You can check your previous 1-Click Scaffold Hop results and queries **[[http://mcule.com/apps/1-click-scaffold-hop/history|HERE]]**. If you run out of storage, check the **[[http://mcule.com/pricing|Price Plans]]** to upgrade.+8. You can check your previous 1-Click Scaffold Hop results and queries **[[https://mcule.com/apps/1-click-scaffold-hop/history/|HERE]]**. If you run out of storage, check the **[[https://mcule.com/pricing/|Price Plans]]** to upgrade.
  
-9. You can use the other Lead Optimization tools, such as **[[http://mcule.com/apps/1-click-docking|1-Click Docking]]**, **[[http://mcule.com/apps/property-calculator|Property Calculator]]** and **[[http://mcule.com/apps/toxicity-checker|Toxicity Checker]]** to further characterize the newly identified scaffolds+9. You can use the other Lead Optimization tools, such as **[[https://mcule.com/apps/1-click-docking/|1-Click Docking]]**, **[[https://mcule.com/apps/property-calculator/|Property Calculator]]** and **[[https://mcule.com/apps/toxicity-checker/|Toxicity Checker]]** to further characterize the newly identified scaffolds
  
 **__[[usecases|Go back to use cases >>]]__** **__[[usecases|Go back to use cases >>]]__**
  
usecase1csh.txt · Last modified: 2013/12/02 22:28 by sanmark