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rebirther
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PostPosted: 09.12.2009, 20:03    mopac@home Reply with quoteBack to top

http://mopac.cadaster.eu/

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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


Mehr Infos jetzt verfügbar, Webseite wurde weiter ausgebaut.

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Last edited by rebirther on 27.01.2010, 18:49; edited 1 time in total

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aendgraend
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PostPosted: 01.01.2010, 20:13    (No subject) Reply with quoteBack to top

Website schon wieder offline... Mda
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rebirther
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PostPosted: 21.01.2010, 10:01    (No subject) Reply with quoteBack to top

WUs gehen von sek - max. 21min, danach schaltet sich ein watchdog ein der die WU abbricht (max. Zeitlimit erreicht), dafür gibt es aber keine credits sondern nur ein "computation error".
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DoctorNow
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PostPosted: 21.03.2016, 11:34    (No subject) Reply with quoteBack to top

Die Seite ist jetzt glaube ich mindestens schon ein halbes Jahr weg, wenn nicht schon länger.
Ich hab's in der Wiki stillgelegt, der Thread hier sollte dann auch verschoben werden. ;-)

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