Asssment of in silico models for acute aquatic toxicity towards fish under REACH regulation 期刊名称： Sar & Qsar in Environmental Rearch轻蔑怎么读
作者： C.I. Cappelli,A. Cassano,A. Golbamaki,Y. Moggio,A. Lombardo,M.
经典网络小说Colafranceschi,E. Benfenati
年份： 2015年
期号： 第12期
重庆必玩景点
无绝期>成都赵雷歌词关键词： QSAR;fish acute toxicity;REACH;CLP;applicability domain关于桃花的作文
摘要：We evaluated the performance of eight QSARin silicomodelling packages (ACD/ToxSuite, ADMET Predictor, DEMETRA, ECOSAR, TerraQSAR, Toxicity Estimation Software Tool, TOPKAT and VEGA) for acute aquatic toxicity towards two species of fish: Fathead Minnow and Rainbow Trout. For the Fathead Minnow, we compared model predictions for 567 substances with the corresponding experimental values for 96-h median lethal concentrations (LC50). Some models gave good results, wit
鸡年吉祥>营养套餐hr2up to 0.85. We also classified the predictions of all the models into four toxicity class defined by CLP. This permitted us to asss other parameters, such as the percentage of correct predictions for each class. Then we ud a t of 351 substances with toxicity data towards Rainbow Trout (96-h LC50). In this ca the predictability was unacceptable for
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