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ordancatsingle
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This shows you the differences between two versions of the page.
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ordancatsingle [2013/10/10 17:43] flack |
ordancatsingle [2013/12/04 21:25] (current) sanmark use ordered list |
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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 21:25 by sanmark
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