CoMFA
基本解釋
- 比較分子場(chǎng)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(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(cè)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(chǎng)分析方法,對(duì)一系列與煙堿型乙酰膽堿受體作用的吡啶基醚類配體進(jìn)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(chǎng)分析(CoMFA)方法對(duì)112種含氟農(nóng)藥分子的生物活性及毒性同時(shí)進(jìn)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(shí)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(jì)算機(jī)輔助藥物設(shè)計(jì)技術(shù)建立了具有較強(qiáng)預(yù)測(cè)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