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。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0The 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模型交叉驗證相關(guān)系數(shù)分別為0.;716和0Keywords 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comparative molecular similarity indices analysis (CoMSIA) 比較分子相似性分析 返回 Comsia