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应用T.E.S.T.平台预测已建立的中草药重要成分数据库中984种中草药重要成分的大鼠经口LD_(50)、发育毒性和致突变性(Ames试验)。LD_(50)以mg/kg表示,而发育毒性和Ames试验结果以有/无表示。结果发现:有710种(72%)中草药重要成分的大鼠经口LD_(50)属GHS急性经口毒性4类和5类。有154种(15.7%)预测具有Ames试验阳性,677种(68.8%)预测具有发育毒性。本文给出了各结构分类的预测结果,并给出了120种黄酮类化学物的预测结果。本文还讨论了毒理学关注阈值(TTC)在预测发育毒性阳性化学物的应用。
The T.E.S.T. platform was used to predict the oral LD50, developmental toxicity and mutagenicity (Ames test) of 984 important components of Chinese herbal medicine in the established database of important components of Chinese herbal medicine. LD_ (50) is expressed in mg / kg, while developmental toxicity and Ames test results are expressed with / without. The results showed that there were 710 species (72%) of the important components of Chinese herbal medicine oral LD 50 genus GHS acute oral toxicity 4 and 5 categories. 154 (15.7%) predicted Ames positive and 677 (68.8%) predicted developmentally toxic. In this paper, the prediction results of each structure classification are given, and the prediction results of 120 flavonoids are given. This article also discusses the application of the Toxicology Concern Threshold (TTC) in predicting developmentally toxic positive chemicals.