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--- ordancat [2013/10/09 08:22] – rkiss
+++ ordancat [2013/10/09 08:23] – rkiss
@@ Line 12: / Line 12: @@
-== B) Search analogs for multiple hits by a single search ==
-If you have multiple hits containing common structural elements (e.g. multiple analogs of the same scaffold), it make sense to include all your hits in a single search as multiple queries.
-. Go to **[[http://mcule.com/???|"FIND CHEMICALS / MULTIPLE QUERY SIMILARITY"]]**
-. Specify your queries in SMILES, mcule ID, InChI or SDF formats (use the tabs on the left to **"Paste text"** or **"Upload file"**)
-. You can set the similarity **"Scoring method"** under **"Advanced options"**: **//Best//** scoring method will pick the similarity score to the most similar query molecule. **//Average//** scoring method will calculate an average similarity score to all query molecules.
-. Under **"Advanced options"** you can also set the **"Descriptor"** used for the similarity search (**OpenBabel Linear Fingerprint**, **OpenBabel MACCS Keys**, **Indigo Similarity Fingerprint**)
-. 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 - **[[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 >>]]__**
 == C) Search analogs for multiple hits (one hit at a time) ==