CoMFA
基本解釋
- 比較分子場分析
英漢例句
- Two CoMFA models and two CoMSIA models were built and yielded statistically significant and high predictabilities.
數(shù)據顯示模型都表現(xiàn)出高穩(wěn)定性,并且也具有很好的預測能力。 - CoMFA method is used to build the relationship between activity and struture of a novel analogues of nicotinic acetylcholine receptor(nAChRs) agonists.
采用比較分子力場分析方法,對一系列與煙堿型乙酰膽堿受體作用的吡啶基醚類配體進行構效關系分析,建立了這類化合物的3維構效模型。 - The quantitative structure - activity/toxicity relationships (QSAR/QSTR) of 112 fluorine -containing pesticides were studied by means of the DISCO and CoMFA method.
用比較分子場分析(CoMFA)方法對112種含氟農藥分子的生物活性及毒性同時進行了定量構效關系研究. - 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.
其具體實施步驟如下 :首先確立藥物分子的生物活性 (藥效 )構象 ,再依據合理的匹配規(guī)則將化合物疊合。 - 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 .
利用計算機輔助藥物設計技術建立了具有較強預測能力的CoMFA和CoMSIA模型;其交叉相關系數(shù)q~2值分別為0.;703和0