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Search for more diverse analogs of a single hit

If you are looking for compounds with similar pharmacophore properties but more structural diversity you can use 1-Click Scaffold Hop to find new interesting scaffolds.

1. Go to "LEAD OPTIMIZATION / 1-CLICK SCAFFOLD HOP"

2. Depending on your Price plan, you can choose from input collections with different sizes

3. Specify your query (either by drawing or by providing a chemical identifier such as mcule ID, SMILES, InChI or InChIKey)

4. Click on “SCAFFOLD HOP”

5. After the results are displayed you can visualize the similarity between the query and each identified analog by clicking on the “VISUALIZE SIMILARITY” button

6. To request a quote for any particular analog, you can click on the orange “QUOTE” buttons. Alternatively, you can click on the MCULE ID of a particular analog to display its index page, where you can click on “ADD TO” to add the analog to a new or an already existing compound collection. Then go to "COLLECTIONS", open the collection containing the selected analogs and 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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ordancatsinglediv.1381419950.txt.gz · Last modified: 2013/10/10 17:45 by flack