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化学进展 2000

比较分子力场分析法(CoMFA)的研究新进展

朱杰,盛春泉,张万年

Keywords: 比较分子力场分析法,三维定量构效关系,匹配规则

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Abstract:

CoMFA是目前3D-QSAR中应用最广且最为成功的一种方法,但其在设计思想和实施过程中还存在一定缺陷,主要表现在匹配规则、新场引入、变量选择及数据处理等几个方面。本文对近年来关于CoMFA方法的各种改进研究做了较为系统的综述,并就CoMFA在药物设计中的作用进行了展望。

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