| A ROBUST PLS PROCEDURE |
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| 作者姓名： | I.N.WAKELING H.J.H.MACFIE |
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| 作者单位： | Institute of Food Research Reading Laboratory，Earley Gate，Whiteknights Road，Reading，RG6 2EF，U.K.，Institute of Food Research，Reading Laboratory，Earley Gate，Whiteknights Road，Reading，RG6 2EF，U.K. |
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| 摘 要： | A robust partial least squares(PLS)regression algorithm is developed.This is achieved by substitutionof the univariate regression steps in the iterative PLS2 algorithm by a robust alternative.The anglebetween loading vectors from both perturbed and unperturbed solutions is used as a measure ofrobustness.By means of a perturbation study on a structure-activity data set,it is demonstrated thatthe stability of the robust method is superior to standard PLS.
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A ROBUST PLS PROCEDURE |
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| I.N.WAKELING,H.J.H.MACFIE.A ROBUST PLS PROCEDURE[J].Journal of Geographical Sciences,1992(4). |
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| Authors: | INWAKELING HJHMACFIE Institute of Food Research Reading Laboratory Earley Gate Whiteknights Roa Reading RG EF UK |
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| Abstract: | A robust partial least squares(PLS)regression algorithm is developed.This is achieved by substitution of the univariate regression steps in the iterative PLS2 algorithm by a robust alternative.The angle between loading vectors from both perturbed and unperturbed solutions is used as a measure of robustness.By means of a perturbation study on a structure-activity data set,it is demonstrated that the stability of the robust method is superior to standard PLS. |
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| Keywords: | Robust regression Partial least squares QSAR Perturbation study |
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