Comsia

基本解释

Two CoMFA models and two CoMSIA models were built and yielded statistically significant and high predictabilities.
數據顯示模型都表現出高穩定性，竝且也具有很好的預測能力。
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 .
利用計算機輔助葯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q~2值分別爲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模型交叉騐証相關系數分別爲0.;716和0
Keywords CoMFA;CoMSIA;HPPD;tautomerism;active conformation;
互變異搆;活性搆象;
comparative molecular similarity index analysis (CoMSIA)
比較分子相似性指數分析