comfa

 
  • 比较分子场分析

CoMFA的用法和样例:

例句

  1. Two CoMFA models and two CoMSIA models were built and yielded statistically significant and high predictabilities.
    数据显示模型都表现出高稳定性,并且也具有很好的预测能力。
  2. CoMFA method is used to build the relationship between activity and struture of a novel analogues of nicotinic acetylcholine receptor(nAChRs) agonists.
    采用比较分子力场分析方法,对一系列与烟碱型乙酰胆碱受体作用的吡啶基醚类配体进行构效关系分析,建立了这类化合物的3维构效模型。
  3. The quantitative structure - activity/toxicity relationships (QSAR/QSTR) of 112 fluorine -containing pesticides were studied by means of the DISCO and CoMFA method.
    用比较分子场分析(CoMFA)方法对112种含氟农药分子的生物活性及毒性同时进行了定量构效关系研究.
  4. 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.
    其具体实施步骤如下 :首先确立药物分子的生物活性 (药效 )构象 ,再依据合理的匹配规则将化合物叠合。
  5. The resulting CoMFA and CoMSIA models by computer-aided drug design had a cross validated coeffiecient q~2 of 0.703 and 0.717 respectively, which showed strong predictive ability .
    利用计算机辅助药物设计技术建立了具有较强预测能力的CoMFA和CoMSIA模型;其交叉相关系数q~2值分别为0.;703和0
  6. In order to get more structural information for designing new COX-2 inhibitors, COX-2 inhibitors that had been tested for the activity and selectivity were chosen to build two CoMFA model, using CoMFA (comparative molecular field analysis) method.
    为得到更多的设计思路,利用已测定活性和选择性的三环系COX-2抑制剂分别建立结构与活性和结构与选择性两个CoMFA模型。
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