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{{Infobox Project | name =mopac@home | logo = | screenshot =无屏保图形 | caption = | developer = | released =2006年3月20日 | operating system =[[Image:Windows.png]] | platform =[[BOINC]] | program info = | work unit info = | status =运行中/开放注册 | genre = | optimization =无 | website =http://mopac.cadaster.eu/ }} '''mopac@home'''是利用联网计算机来进行量子化学研究的研究项目. 你可以通过在你的电脑上下载并在运行一个免费程序来参与本项目. mopac@home 的总部在慕尼黑的亥姆霍兹联合研究中心[http://helmholtz-muenchen.de/ 慕尼黑亥姆霍兹联合研究中心] *[http://cadaster.eu/ CADASTER 项目主页] *[http://cadaster.eu/mopac/aboutus.html 参与本项目人员名单] {{JoinBoincProject |Project=mopac@home |URL=http://mopac.cadaster.eu/ }} ==mopac@home有什么用 ?== [http://cadaster.eu/ CADASTER] 项目是一个由欧盟第七框架计划资助的,以提供一个决策支持系统来评估四大类聚合物的危险性为目的的项目 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. 因此会发展并验证Therefore [http://en.wikipedia.org/wiki/Quantitative_structure-activity_relationship QSAR] 模型models will be developed and validated,因为这个项目的基本思想哲学是动物试验、物资花费和时间的最小化 as the basic philosophy behind this project is minimizing animal testing, costs, and time. 这些模型需要一个依据根据化学聚合物的相关结构知识建立扎实的基础These models need a solid base, which is primarily founded by the knowledge of reliable structures for chemical compounds. 这个半经验的量子化学程序The semiempirical quantum chemistry program [http://openmopac.net/ MOPAC] 可以不依靠其他几个重要化学量提供这些结构can, aside from several other important chemical qualities, provide such structures. ==Why should you join mopac@home ???== *Environment protection The basic task of the [http://cadaster.eu/ CADASTER] project is to protect the environment. Every single computed molecule can decisively contribute to improve the quality of models that asses the risk of a chemical compound to your ecosystem. *Animal protection The usual technique for assesment of hazard and risk, is animal experiments. Contrary to that, our scientific work aims to avoid these experiments. The data collected by '''mopac@home''' should enable [http://en.wikipedia.org/wiki/Quantitative_structure-activity_relationship QSAR]-models that estimate toxicity without making living creatures suffer. By joining this project you can lessen the distress on animals. *Scientific progress The data contributed to '''mopac@home''' is not just relevant for the [http://cadaster.eu/ CADASTER] project, but can fill a gap in chemical knowledge. Although there are a lot of chemical databases, they either do not focus on optimized chemical structures or only offer few structures. '''mopac@home''' is developed to provide not just one chemical conformation per molecule, but to optimize a whole set of initial conformations. *Open project All data gained by '''mopac@home''' is freely accessible by web. In our project every computed result is available here to anybody who has an internet connected computer. Our [http://cadaster.eu/mopac/ database] also enables you to submit your molecules or molecule-conformations to be optimized by [http://openmopac.net/ MOPAC]. {{BOINC topics}} [[category:分布式计算项目]][[category:BOINC 平台上的项目]][[category:物理化学类项目]][[category:待翻译]]
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