Team
Mehr Infos jetzt verfügbar, Webseite wurde weiter ausgebaut.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