ordancat
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**__[[ordancatsinglediv|Search for more diverse analogs of a single hit >> | **__[[ordancatsinglediv|Search for more diverse analogs of a single hit >> | ||
- | == A) Search close analogs for a single hit == | ||
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- | If you have a single hit and want to search and order its close analogs, follow these steps: | ||
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- | 1. Go to **[[http:// | ||
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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) | ||
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- | 3. If you want to keep a particular substructure in all resulting analogs, modify your query accordingly (delete unnecessary parts) and select **" | ||
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- | 4. If you simply want the overall most similar analogs of your compound, select **" | ||
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- | 5. Click on **" | ||
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- | 6. After the search was finished and the most similar compounds were displayed, click on the orange **" | ||
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- | 7. Fill out the quote form | ||
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- | 8. Click on either **" | ||
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- | **__[[usecases|Go back to use cases >> | ||
== B) Search analogs for multiple hits by a single search == | == B) Search analogs for multiple hits by a single search == |
ordancat.txt · Last modified: 2014/01/01 15:52 by flack