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ordancatsingle

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ordancatsingle [2013/10/10 15:43] – flackordancatsingle [2013/12/04 20:25] (current) – use ordered list sanmark
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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 20:25 by sanmark