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化学进展 2000, Vol. 12 Issue (02): 203- 前一篇   后一篇

• 综述与评论 •

比较分子力场分析法(CoMFA)的研究新进展

朱杰;盛春泉;张万年   

  1. 第二军医大学药学院药化教研室 上海 200433
  • 收稿日期:1999-04-01 修回日期:2000-01-01 出版日期:2000-05-24 发布日期:2000-05-24

Progress on CoMFA Research

Zhu Jie;Sheng Chunquan;Zhang Wannian   

  1. College of Pharmacy, Second Military Medical University, Shanghai 200433, China
  • Received:1999-04-01 Revised:2000-01-01 Online:2000-05-24 Published:2000-05-24
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。
Comparative molecular field analysis (CoMFA ) is a relatively new 3D-QSAR method, which is used widely and successfully. But it has some defects in fitting rules, new fields, the selection of variables and data statistics. The recent improvements of the CoMFA method is reviewed in this paper, With these improvements, CoMFA will play a more important role in designing new drugs in future.

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[1] 侯廷军,徐筱杰. 比较分子场分析方法研究的最新进展*[J]. 化学进展, 2001, 13(06): 436-.