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search [2013/02/26 17:09]
rkiss [How to use]
search [2013/10/10 18:05]
flack
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 {{:findchem3.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.+Extremely fast and easy-to-use web interface that helps to quickly find purchasable chemicals in the high quality database of mcule.
  
 ===== When to use ===== ===== When to use =====
  
-[[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.+[[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.
  
 ===== How to use ===== ===== How to use =====
  
-[[https://mcule.com/search|Find Chemicals]] has two interfaces: [[https://mcule.com/search|Single]] and [[https://mcule.com/search/multi|Multiple]].+[[https://mcule.com/search/|Find Chemicals]] has two interfaces: [[https://mcule.com/search/|Single]] and [[https://mcule.com/search/multi/|Multiple]].
  
 === Find Chemicals - Single === === 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, [[http://www.daylight.com/dayhtml/doc/theory/theory.smiles.html|SMILES]] strings or [[http://www.inchi-trust.org/inchi|InChIs]]. The query molecule can be specified by the [[sketcher|Drawer]] or by entering mcule IDs, [[http://www.daylight.com/dayhtml/doc/theory/theory.smiles.html|SMILES]] strings or [[http://www.inchi-trust.org/inchi|InChIs]].
  
 The following search types are available: The following search types are available:
- 
- 
  
 **[[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). **[[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).
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 **[[exactsearch|Exact searching]]** can be used to find a specific compound (e.g. a reference ligand). **[[exactsearch|Exact searching]]** can be used to find a specific compound (e.g. a reference ligand).
  
-==== Results ====+=== Find Chemicals - Multiple === 
 + 
 +This interface runs [[exactsearch|exact searches]] with multiple query molecules. 
 + 
 +It can be very useful for ordering a set of ligands in one step. Virtual screening hit lists with mcule IDs, [[http://www.inchi-trust.org/inchi|InChI]] or [[http://www.daylight.com/dayhtml/doc/theory/theory.smiles.html|SMILES]] strings and even SDF files can be pasted or uploaded and used as the query of the search. 
 + 
 +Note that different query types might store different level of information about your query molecules. Searching for mcule IDs is the most straightforward and effective way to retrieve a set of molecules from the mcule database. For example, if you have downloaded the [[purchasable|Purchasable compounds collection]] of the mcule database from [[https://mcule.com/database/|here]], and you want to come back for [[delivery|purchasing some compounds]], it is suggested that you paste mcule IDs instead of SDF entries here. Note that mcule IDs are always included in exported SDF as a separate SDF field. 
 + 
 +===== Results =====
  
   * Molecules satisfying search criteria   * Molecules satisfying search criteria
search.txt · Last modified: 2013/10/10 18:05 by flack