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Dr. Rainer Brüggemann (born 1943) studied chemistry at the Ludwig-Maximilian University Munich (LMU), Germany. He nreceived his Ph.D. in 1977 working on quantum chemistry where he was especially interested in applications of singularity ntheory and catastrophe theory to semiempirical quantum chemistry methods. After a postdoctoral time at the LMU, where he nstudied Redfield theory in the context of electron paramagnetic resonance spectroscopy, he joined a group performing risk nassessment studies with respect to nuclear waste disposal sites (Technical University in Berlin). One of his specific tasks was to ndevelop geochemical programs to assess the composition of salt brines and to estimate solution equilibria of actinides. In 1984, nhe went to the National Research Center for Environment and Health (HelmholtzZentrum München). There, he was one of the nauthors of the evaluation software code for chemicals, "E4CHEM", which was at that time one of the first multimedia programs ncombining QSAR-methodologies with transport and distribution behaviors of chemicals in the environment. The underlying nidea behind E4CHEM was to derive chemical information to finally rank chemicals. Applying E4CHEM, the chemicals could nbe characterized by a series of numbers, called descriptors. In order to obtain a ranking of chemicals, these descriptors must be nnumerically combined. However, by any aggregation technique, the valuable information due to all E4CHEM models is lost. nTherefore, in the late nineteen eighties, Dr. Brüggemann introduced concepts of partial order theory as a useful alternative in norder to evaluate chemicals.
机译:RainerBrüggemann博士(生于1943年)在德国路德维希马克西米利安大学(LMU)学习化学。他没有获得博士学位。 1977年从事量子化学研究,他对奇异性理论和突变理论在半经验量子化学方法中的应用特别感兴趣。在LMU的博士后时间之后,他在电子顺磁共振波谱学背景下研究Redfield理论,随后他加入了一个对核废料处置场进行风险评估的小组(柏林工业大学)。他的具体任务之一是开发地球化学程序,以评估盐水的组成并评估act系元素的溶液平衡。 1984年,他去了国家环境与健康研究中心(HelmholtzZentrumMünchen)。在那里,他是化学品评估软件代码“ E4CHEM”的作者之一,该软件当时是将QSAR方法与化学品在环境中的传输和分布行为结合在一起的首批多媒体程序之一。 E4CHEM背后的基本思想是获得化学信息以对化学物质进行最终排名。应用E4CHEM,化学物质可能无法通过一系列称为描述符的数字来表征。为了获得化学物质的等级,必须用数字组合这些描述符。但是,通过任何聚合技术,由于所有E4CHEM模型而导致的有价值的信息都会丢失。 n因此,在18世纪80年代末期,布鲁格曼博士介绍了偏序理论的概念,将其作为norder评估化学药品的有用替代方法。

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