ordancatmultimoresearch
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ordancatmultimoresearch [2013/10/10 15:44] – flack | ordancatmultimoresearch [2013/12/04 20:27] (current) – use ordered list sanmark | ||
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If your hits are from fairly different scaffolds, it might make more sense to run separate similarity searches on each of them, merge the results into a single compound collection, and request a quote for the merged collection. | If your hits are from fairly different scaffolds, it might make more sense to run separate similarity searches on each of them, merge the results into a single compound collection, and request a quote for the merged collection. | ||
- | 1. Go to **[[https:// | + | - Go to **[[https:// |
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- | 2. Specify your first 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. Repeat steps 1-5 for all your hits | + | |
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- | 7. Go to **[[https:// | + | |
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- | 8. You can select your most recent collections (results of your analog searches) and click on **" | + | |
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- | 9. Alternatively, | + | |
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- | 10. Go to the final collection that contains the selected analogs you would like to order and click on the orange **" | + | |
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- | 11. Fill out the quote form | + | |
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- | 12. Click on either **" | + | |
**__[[usecases|Go back to use cases >> | **__[[usecases|Go back to use cases >> | ||
ordancatmultimoresearch.1381419882.txt.gz · Last modified: 2013/10/10 15:44 by flack