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Search close analogs for a single hit

If you have a single hit and want to search and order its close analogs, follow these steps:

1. Go to "FIND CHEMICALS / SINGLE QUERY"

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 “Substructure” search type. Note: you can block substituents at particular positions of the molecule by placing explicit hydrogen atoms.

4. If you simply want the overall most similar analogs of your compound, select “Similarity” search type

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 - subscription required) or “NEXT-DAY QUOTE” (we will send you a quote by e-mail in 24-48 hours)

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ordancatsingle.1381419812.txt.gz · Last modified: 2013/10/10 17:43 by flack