Neural Networks for Structure - Activity Relationship Problems

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چکیده

The problem of finding relations between structure of large molecules and their chemical and biological activity is known as the structure-activity relation problem (SAR). Two neural networks developed in our group were applied to this problem: the Feature Space Mapping neurofuzzy system and the constrained MLP network used to extract logical rules. Two SAR data sets were analyzed: antibiotic activity of pyrimidine compounds, and carcinogenicity data from the Predictive-Toxicology Evaluation project of the US National Institute of Environmental Health Science (NIEHS).

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تاریخ انتشار 2000