Search analogs for multiple hits (one hit at a time)
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.
- Specify your first 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
- Click on “SEARCH”
- Repeat steps 1-5 for all your hits
- Go to "COLLECTIONS"
- You can select your most recent collections (results of your analog searches) and click on “MERGE” to merge them into a single collection
- Alternatively, you can open your most recent collections one by one, select the most interesting compounds and click on the “ADD TO” button to add them to a new or an already existing collection
- Go to the final collection that contains the selected analogs you would like to order and click on the orange “QUOTE” button in the top right corner
- Fill out the quote form
- 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)
ordancatmultimoresearch.txt · Last modified: 2013/12/04 20:27 by sanmark