usecase1csh
Differences
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usecase1csh [2013/12/02 22:26] – link to 1-click scaffold hop's page sanmark | usecase1csh [2013/12/02 22:28] (current) – use order list sanmark | ||
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that might be structurally different but share pharmacophore properties with those of the query. | that might be structurally different but share pharmacophore properties with those of the query. | ||
- | 1. Go to **[[https:// | + | - Go to **[[https:// |
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- | 2. Depending on your **[[https:// | + | |
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- | 3. Specify your existing hit / lead / reference ligand (either by drawing or by providing a chemical identifier such as mcule ID, SMILES, InChI or InChIKey) | + | |
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- | 4. Click on **" | + | |
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- | 5. After the calculation finishes you can find a number of diverse scaffolds that have similar pharmacophore properties as your query | + | |
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- | 6. Click on **" | + | |
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- | 7. Remember that all displayed hits are purchasable. To order any of them, click on the orange **" | + | |
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- | 8. You can check your previous 1-Click Scaffold Hop results and queries **[[https:// | + | |
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- | 9. You can use the other Lead Optimization tools, such as **[[https:// | + | |
**__[[usecases|Go back to use cases >> | **__[[usecases|Go back to use cases >> | ||
usecase1csh.txt · Last modified: 2013/12/02 22:28 by sanmark