ordancatsingle
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:
- 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
- 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
- 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)
ordancatsingle.txt · Last modified: 2013/12/04 20:25 by sanmark