CoMFA

常見例句

• Two CoMFA models and two CoMSIA models were built and yielded statistically significant and high predictabilities.
  數(shù)據(jù)顯示模型都表現(xiàn)出高穩(wěn)定性，并且也具有很好的預(yù)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(gòu)效關(guān)系分析,建立了這類化合物的3維構(gòu)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(nóng)藥分子的生物活性及毒性同時進行了定量構(gòu)效關(guān)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(gòu)象 ,再依據(jù)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(shè)計技術(shù)建立了具有較強預(yù)測能力的CoMFA和CoMSIA模型;其交叉相關(guān)系數(shù)q~2值分別為0.;703和0
• 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.
  為得到更多的設(shè)計思路，利用已測定活性和選擇性的三環(huán)系COX-2抑制劑分別建立結(jié)構(gòu)與活性和結(jié)構(gòu)與選擇性兩個CoMFA模型。
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