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ordancatsingle [2013/10/10 17:43]
flack
ordancatsingle [2013/12/04 21:25] (current)
sanmark use ordered list
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 If you have a single hit and want to search and order its close analogs, follow these steps: ​ If you have a single hit and want to search and order its close analogs, follow these steps: ​
  
-1. Go to **[[https://​mcule.com/​search/​|"​FIND CHEMICALS / SINGLE QUERY"​]]** +  - Go to **[[https://​mcule.com/​search/​|"​FIND CHEMICALS / SINGLE QUERY"​]]** 
- +  ​- ​Specify your query (either by drawing or by providing a chemical identifier such as mcule ID, SMILES, InChI or InChIKey) 
-2. Specify your query (either by drawing or by providing a chemical identifier such as mcule ID, SMILES, InChI or InChIKey) +  ​- ​If you want to keep a particular substructure in all resulting analogs, modify your query accordingly (delete unnecessary parts) and select **"​Substructure"​** search type. Note: you can block substituents at particular positions of the molecule by placing explicit hydrogen atoms. 
- +  ​- ​If you simply want the overall most similar analogs of your compound, select **"​Similarity"​** search type 
-3. If you want to keep a particular substructure in all resulting analogs, modify your query accordingly (delete unnecessary parts) and select **"​Substructure"​** search type. Note: you can block substituents at particular positions of the molecule by placing explicit hydrogen atoms. +  ​- ​Click on **"​SEARCH"​** 
- +  ​- ​After the search was finished and the most similar compounds were displayed, click on the orange **"​QUOTE"​** button in the top right corner 
-4. If you simply want the overall most similar analogs of your compound, select **"​Similarity"​** search type +  ​- ​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. Click on **"​SEARCH"​** +
- +
-6. After the search was finished and the most similar compounds were displayed, 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 >>​]]__**
  
ordancatsingle.txt · Last modified: 2013/12/04 21:25 by sanmark