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ordancatsinglediv [2013/10/09 10:25]
rkiss
ordancatsinglediv [2013/12/04 21:32]
sanmark use ordered list
Line 1: Line 1:
 ====== Search for more diverse analogs of a single hit ====== ====== Search for more diverse analogs of a single hit ======
  
-If you are looking for compounds with similar pharmacophore properties but more structural diversity you can use **[[http://​mcule.com/​apps/​1-click-scaffold-hop|1-Click Scaffold Hop]]** to find new interesting scaffolds.+If you are looking for compounds with similar pharmacophore properties but more structural diversity you can use **[[https://​mcule.com/​apps/​1-click-scaffold-hop/|1-Click Scaffold Hop]]** to find new interesting scaffolds.
  
-1. Go to **[[http://​mcule.com/​apps/​1-click-scaffold-hop|"​LEAD OPTIMIZATION / 1-CLICK SCAFFOLD HOP"​]]** +  - Go to **[[https://​mcule.com/​apps/​1-click-scaffold-hop/|"LEAD OPTIMIZATION / 1-CLICK SCAFFOLD HOP"​]]** 
- +  ​- ​Depending on your **[[https://​mcule.com/​pricing/|Price plan]]**, you can choose from input collections with different sizes 
-2. Depending on your **[[http://​mcule.com/​pricing|Price plan]]**, you can choose from input collections with different sizes +  ​- ​Specify your query (either by drawing or by providing a chemical identifier such as mcule ID, SMILES, InChI or InChIKey) 
- +  ​- ​Click on **"​SCAFFOLD HOP"​** 
-3. Specify your query (either by drawing or by providing a chemical identifier such as mcule ID, SMILES, InChI or InChIKey) +  ​- ​After the results are displayed you can visualize the similarity between the query and each identified analog by clicking on the **"​VISUALIZE SIMILARITY"​** button 
- +  ​- ​To request a quote for any particular analog, you can click on the orange **"​QUOTE"​** buttons. Alternatively,​ you can click on the MCULE ID of a particular analog to display its index page, where you can click on **"ADD TO"** to add the analog to a new or an already existing compound collection. Then go to **[[https://​mcule.com/​collection/|"​COLLECTIONS"​]]**,​ open the collection containing the selected analogs and click on the orange **"​QUOTE"​** button in the top right corner. 
-4. Click on **"​SCAFFOLD HOP"​** +  ​- ​Fill out the quote form 
- +  ​- ​Click on either **"​INSTANT QUOTE"​** (quote will be generated on-the-fly - **[[https://​mcule.com/​pricing/|subscription required]])** or **"​NEXT-DAY QUOTE"​** (we will send you a quote by e-mail in 24-48 hours)
-5. After the results are displayed you can visualize the similarity between the query and each identified analog by clicking on the **"​VISUALIZE SIMILARITY"​** button +
- +
-6. To request a quote for any particular analog, you can click on the orange **"​QUOTE"​** buttons. Alternatively,​ you can click on the MCULE ID of a particular analog to display its index page, where you can click on **"ADD TO"** to add the analog to a new or an already existing compound collection. Then go to **[[http://​mcule.com/​collection|"​COLLECTIONS"​]]**,​ open the collection containing the selected analogs and click on the orange **"​QUOTE"​** button in the top right corner. +
- +
-7. Fill out the quote form +
- +
-8. Click on either **"​INSTANT QUOTE"​** (quote will be generated on-the-fly - **[[https://​mcule.com/​pricing|subscription required]])** or **"​NEXT-DAY QUOTE"​** (we will send you a quote by e-mail in 24-48 hours)+
  
 **__[[usecases|Go back to use cases >>​]]__** **__[[usecases|Go back to use cases >>​]]__**
  
ordancatsinglediv.txt · Last modified: 2013/12/04 21:32 by sanmark