Differences

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--- search [2013/02/26 15:43] – rkiss
+++ search [2013/02/26 16:00] – [How to use] rkiss
@@ Line 3: / Line 3: @@
 **[[http://youtu.be/nrTF1Axoztc|WATCH TUTORIAL VIDEO!]]**
-{{:findchem2.png?1000|}}
+{{:findchem3.png?1000|}}
 Extremely fast and easy-to-use web interface that helps to find purchasable chemicals in the high quality database of mcule.
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 ===== When to use =====
-[[https://mcule.com/search|Find Chemicals]] can be used to find specific compounds or close analogs of a single compound and purchase them by just a few clicks.
+[[https://mcule.com/search|Find Chemicals]] can be used to find specific compounds/chemicals or close analogs of a single compound and purchase them by just a few clicks.
-was primarily designed for fast searching of the [[purchasable|Purchasable compounds collection]] of the mcule database.  You can use it to run similarity, substructure and exact searches with a single or multiple queries. The query molecules can be specified by ChemWriter (instant appearance, comprehensive set of functionalities) or by entering mcule IDs, SMILES strings or InChIs. Start browsing the results immediately and buy the best hit(s) by just a few clicks.
+===== How to use =====
+[[https://mcule.com/search|Find Chemicals]] has two interfaces: [[https://mcule.com/search|Single]] and [[https://mcule.com/search/multi|Multiple]].
+=== Find Chemicals - Single ===
+This interface was designed to quickly search the [[purchasable|Purchasable compounds collection]] of the mcule database.
+The query molecule can be specified by the [[sketcher|Drawer]] or by entering mcule IDs, SMILES strings or InChIs.
+The following search types are available:
-Looking for a single compound, a list of compounds or some close analogs of a compound? This is exactly what Find Chemicals has been designed for.
-===== How to use =====
-Under the “find chemicals” tab three simple search types are available: **[[exactsearch|“Exact”]]**, **[[similaritysearch|“Similarity”]]** and **[[substructuresearch|“Substructure”]]** searches.
+**[[similaritysearch|Similarity searching]]** can be used to retrieve close analogs of a query molecule (e.g. an [[http://en.wikipedia.org/wiki/High-throughput_screening|HTS]] hit).
-**[[exactsearch|“Exact search”]]** can be useful when looking for a specific molecule (e.g. a reference ligand).
+**[[substructuresearch|Substructure searching]]** can be used to find all molecules that contain a specific substructure (e.g. the main scaffold of a reference ligand).
-**[[similaritysearch|“Similarity search”]]** can retrieve close analogs of a query molecule (e.g. an [[http://en.wikipedia.org/wiki/High-throughput_screening|HTS]] hit). “Similarity threshold” ([[http://en.wikipedia.org/wiki/Jaccard_index|Tanimoto coefficient]]) controls how similar the hits from the query need to be.
+**[[exactsearch|Exact searching]]** can be used to find a specific compound (e.g. a reference ligand).
-**[[substructuresearch|“Substructure search”]]** can be used to find all molecules that contain a specific substructure (e.g. the main scaffold of a reference ligand).
 Queries can be drawn by the [[sketcher|molecule sketcher]], which can be hidden and reopened by clicking on the “Hide/Show sketcher” link. Queries can be also defined by entering mcule IDs,  [[http://www.inchi-trust.org/inchi|InChI]] or [[http://www.daylight.com/dayhtml/doc/theory/theory.smiles.html|SMILES]] strings into the input field. 2D representations can be generated by clicking on the “Generate 2D” button. Note: If the “Generate 2D” button was clicked, the search will be performed on the generated 2D representation (2D SDF exported from the [[sketcher|sketcher]]). If, however, the “Generate 2D” button was not clicked, the search will be directly performed on the mcule ID,  [[http://www.inchi-trust.org/inchi|InChI]] or [[http://www.daylight.com/dayhtml/doc/theory/theory.smiles.html|SMILES]] strings coming from the input field. The results might be slightly different in these two cases.