Comsia

基本解釋

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。
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
The docked conformations with the highest score were then extracted and used to build the 3D-QSAR models, with cross-validated r2cv values 0.716 and 0.762 for CoMFA and CoMSIA, respectively.
得到的CoMFA和CoMSIA模型交叉驗(yàn)證相關(guān)系數(shù)分別為0.;716和0
Keywords CoMFA;CoMSIA;HPPD;tautomerism;active conformation;
互變異構(gòu);活性構(gòu)象;
comparative molecular similarity index analysis (CoMSIA)
比較分子相似性指數(shù)分析