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  #1  
Old 10th September 2010, 08:59 AM
opyrt's Avatar
opyrt opyrt is offline
Ninja Gunso
 
Join Date: Feb 2008
Location: Oslo, Norway
Posts: 253
Mopac@home

The CADASTER project is an FP7-funded project by the EU that aims to provide a Decision Support System (DSS) to asses the hazard and risk for chemicals belonging to four compound classes. Therefore QSAR models will be developed and validated, as the basic philosophy behind this project is minimizing animal testing, costs, and time. These models need a solid base, which is primarily founded by the knowledge of reliable structures for chemical compounds. The semiempirical quantum chemistry program MOPAC can, aside from several other important chemical qualities, provide such structures.

http://mopac.cadaster.eu/

I have not tested it, but it looks promising.
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  #2  
Old 10th September 2010, 11:42 AM
DigiK-oz DigiK-oz is offline
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Join Date: Oct 2008
Location: netherlands
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They are not exporting XML stats yet

http://mopac.cadaster.eu/forum_thread.php?id=3

But intend to do so shortly
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  #3  
Old 10th September 2010, 02:17 PM
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cswchan cswchan is offline
Crunchers Inc
 
Join Date: Mar 2006
Location: Mississauga, Ontario, Canada
Posts: 191
There is also currently no work available...
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  #4  
Old 10th September 2010, 05:45 PM
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opyrt opyrt is offline
Ninja Gunso
 
Join Date: Feb 2008
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Quote:
Originally Posted by cswchan View Post
There is also currently no work available...
From what I understand from their forum posts, they're working like crazy to get the project properly up and running.
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  #5  
Old 11th September 2010, 12:28 PM
Rusty Rusty is offline
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Join Date: Jan 2004
Location: Tasmania, Australia
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WTG guys.. Keep the updates coming
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