Check Your Confidence: Size Really Does Matter

被引:12
|
作者
Carlson, Heather A. [1 ]
机构
[1] Univ Michigan, Coll Pharm, Dept Med Chem, Ann Arbor, MI 48109 USA
关键词
CSAR BENCHMARK EXERCISE;
D O I
10.1021/ci4004249
中图分类号
R914 [药物化学];
学科分类号
100701 ;
摘要
Heather A. Carlson describes the influence of many factors on linear regression and highlights the limits that they impose. A simple least-squares linear regression starts with a fit line that must intersect the point, the average calculated and experimental values. The fit is then dictated by finding a slope that minimizes the squared distances in the y direction between the data points and the fit line. A tighter correlation means better agreement between the data points and the fit line; therefore, there are smaller residuals and a tighter distribution of those residuals around the value zero. A tighter distribution means that there is a smaller standard deviation of the distribution of the residuals for the data points and a higher R. Experimental error can be incorporated as error bars in the y direction if there is a need to address some difference in uncertainty between different data points. This simply calls for a weighted linear regression.
引用
收藏
页码:1837 / 1841
页数:5
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