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化学物质的致癌性监测技术的研究已成为国际性科研热点，采用分子构效关系对分子致癌性进行评价是一种区别于生物学检测的一种新方法。本文介绍一种以分子拓扑结构为参数、用反向传播神经网络ＢＰ模型建立的分子致癌性评价方法，通过一组多环芳烃分子进行训练和测试，讨论ＢＰ模型在此应用中的有关问题。
Research on carcinogenicity monitoring technology of chemical substances has become an international research hotspot. The evaluation of molecular carcinogenicity using molecular structure-activity relationship is a new method that is different from biological detection. In this paper, a molecular carcinogenicity evaluation method based on molecular topological structure and back-propagation neural network BP model is introduced. Through a group of PAH molecules for training and testing, the related problems of the BP model in this application are discussed.