期刊论文

Liu You-nian

英文

中南大学学报(英文版)

2095-2899

2012

19

1

93-100

10.1007/s11771-012-0977-6

National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [20775010, 21075011]; National High Technology Research and Development Program of ChinaNational High Technology Research and Development Program of China [2008AA05Z405]; Hunan Provincial Natural Science Foundation, ChinaNatural Science Foundation of Hunan Province [09JJ3016]; Hunan Provincial Education Department, ChinaHunan Provincial Education Department [09C066]; Foundation of Hunan Provincial Key Laboratory of Materials Protection for Electric Power and Transportation, China [2010CL01]

本校为其他机构

A novel quantitative structure-property relationship (QSPR) model for estimating the solution surface tension of 92 organic compounds at 20 °C was developed based on newly introduced atom-type topological indices. The data set contained non-polar and polar liquids, and saturated and unsaturated compounds. The regression analysis shows that excellent result is obtained with multiple linear regression. The predictive power of the proposed model was discussed using the leave-one-out (LOO) cross-validated (CV) method. The correlation coefficient (R) and the leave-one-out cross-validation corre...

为在 20 点估计 92 有机化合物的答案表面紧张的一个新奇量的结构性质关系(QSPR ) 模型 ? ㄠ ??? 洯ü