The caret Package

作者: Max Kuhn

DOI:

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摘要: To optimize tuning parameters of models, train can be used to fit many predictive models over a grid and return the “best” model (based on resampling statistics). See Table 1 for currently available. As an example, multidrug resistance reversal (MDRR) agent data is determine the“ability compound reverse leukemia cell’s adriamycin” (Svetnik et al, 2003). For each sample (i.e. compound), predictors are calculated that reflect characteristics molecular structure. These descriptors then predict assay results resistance. The accessed using data(mdrr). This creates frame called mdrrDescr factor vector with observed class mdrrClass. start, we will:

参考文章(3)
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Vladimir Svetnik, Ting Wang, Christopher Tong, Andy Liaw, Robert P. Sheridan, Qinghua Song, Boosting: an ensemble learning tool for compound classification and QSAR modeling. Journal of Chemical Information and Modeling. ,vol. 45, pp. 786- 799 ,(2005) , 10.1021/CI0500379
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