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定量构效关系研究是目前国际上一个比较活跃的领域。定量结构―活性相关性(QSAR)在新药研制中的研究方法包括取代基多参数法(Hansch法)、比较分子力场分析法(CoMFA)等。QSAR在癌症、AIDS等药物研制方面取得良好的成果,为药物研究开拓了新的领域。构建癌症药物理想的QSAR模型,为设计活性更高的抗癌化合物提供了理论指导,QSAR在新药结构设计方面具有良好的研究前景。
Quantitative structure-activity relationship is a relatively active field in the world. Quantitative Structure-Activity Dependency (QSAR) research methods in the development of new drugs, including substituent multi-parameter method (Hansch method), comparative molecular force field analysis (CoMFA) and so on. QSAR has achieved good results in the development of drugs such as cancer and AIDS, opening up new fields for drug research. Constructing the ideal QSAR model of cancer drug provides theoretical guidance for the design of more active anti-cancer compounds, and QSAR has a good research prospect in the design of new drug structures.