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12 11 2010

Drawing structures for searching in ChemSpider

Posted by: Jan in Community Building

Copyright©2010 Jan

A recurring question which has come though our customer usability survey is “Can you copy and paste structures drawn in ChemDraw into ChemSpider?” The answer is yes, you can.  Simply draw the structure as normal and from the Edit menu choose Select All and  Copy. In ChemSpider choose Structure Search from the search menu and click on the structure image to activate one of the Java-based structure drawing applets.

  

 Structure image (3)

 

 

From the options given choose Draw/Edit and paste your structure into the drawing window, followed by Accept. You are now in a position to search your structure.

 

 Structure image (2)

 

 

Alternatively, rather than using this route you can save your structure drawing in ChemDraw as a .mol file and in the structure drawing applet of ChemSpider, select the option to Load, then navigate to the location of your saved .mol file, open and load.

 

 Structure image (1)

 

Stumble it!

This entry was posted on Friday, November 12th, 2010 at 12:25 pm and is filed under Community Building. You can follow any responses to this entry through the RSS 2.0 feed. You can leave a response, or trackback from your own site.

5 Responses to “Drawing structures for searching in ChemSpider”

  1. juangarat says:
    November 15th, 2010 at 8:47 pm

    muy bueno el programa de dibujo.Puedo bajarlo libremente?

  2. David says:
    November 16th, 2010 at 6:17 am

    Juan,

    Los programas de dibujo se encajan en el Web site sí mismo.

    (The drawing programs are embedded in the website itself)

  3. Paul says:
    November 29th, 2010 at 4:45 pm

    Do the structures copy/pasted or uploaded into ChemSpider become the property of ChemSpider? To put it differently, are structures not yet published counted as public domain once they are part of ChemSpider?

  4. David says:
    December 2nd, 2010 at 7:40 am

    ChemSpider does not do anything with the data that you submit when you perform a search (other then run the actual query).

    With respect to your specific query about structures, there would be little point in incorporating new structures from queries into the database as there would be no information associated with the structure. ChemSpider is specifically cataloguing structures that have been made and creating links to data about them, we do not include structures that could theoretically be made or for compounds which have absolutely no provenance or data.

  5. Paul says:
    December 10th, 2010 at 7:15 am

    This gives me confidence in using ChemSpider freely for investigative purposes to discover what is yet known about the structures I am interested in.

    Thank you.

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