ordancatsingle
Differences
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ordancatsingle [2013/10/10 15:43] – flack | ordancatsingle [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:// | + | - Go to **[[https:// |
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- | 2. Specify your query (either by drawing or by providing a chemical identifier such as mcule ID, SMILES, InChI or InChIKey) | + | |
- | + | | |
- | 3. If you want to keep a particular substructure in all resulting analogs, modify your query accordingly (delete unnecessary parts) and select **" | + | |
- | + | | |
- | 4. If you simply want the overall most similar analogs of your compound, select **" | + | |
- | + | | |
- | 5. Click on **" | + | |
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- | 6. After the search was finished and the most similar compounds were displayed, click on the orange **" | + | |
- | + | ||
- | 7. Fill out the quote form | + | |
- | + | ||
- | 8. Click on either **" | + | |
**__[[usecases|Go back to use cases >> | **__[[usecases|Go back to use cases >> | ||
ordancatsingle.1381419812.txt.gz · Last modified: 2013/10/10 15:43 by flack