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search [2013/02/27 08:52] rkiss |
search [2013/10/10 18:05] (current) flack |
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| ===== 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 === | ||
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| 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. | 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 [[http://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. | + | 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 ===== | ===== Results ===== | ||
search.txt ยท Last modified: 2013/10/10 18:05 by flack
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