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Multivariate design and modelling in QSAR, combinatorial chemistry, and bioinformatics
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Wold S, Sjostrom M, Andersson PM, Linusson A, Edman M, Lundstedt T, Norden B, Sandberg M, Uppga°rd L. Multivariate design and modelling in QSAR, combinatorial chemistry, and bioinformatics. Klaus Gundertofte, Flemming Jorgensen, eds. Molecular Modelling and Prediction of Bioactivity. New York:Kluwer Academic=Plenum Publishers, 2000; 27-44.
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Kowalski BR, ed, Vol. D Dordrecht, The Netherlands: Reidel Publishing Company
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Wold S, Albano C, Dunn WJ III, Edlund U, Esbensen K, Geladi P, Hellberg S, Johansson E, Lindberg W, Sjostrom M. Multivariate data analysis in chemistry. In: Kowalski BR, ed. Chemometrics-Mathematics and Statistics in Chemistry. Vol. D Dordrecht, The Netherlands: Reidel Publishing Company, 1984; 1-81.
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O2-PLS for qualitative and quantitative analysis in multivariate calibration
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Cross-validatory estimation of the number of components in factor and principal components models
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Wold S. Cross-validatory estimation of the number of components in factor and principal components models. Technometrics 1978; 20:397-405.
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Wold, S.1
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Selection of optimal regression models via crossvalidation
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Osten DW. Selection of optimal regression models via crossvalidation. J Chemometrics 1988; 2:39-48.
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A strategy for ranking environmentally occurring chemicals. Part V: The development of two genotoxicity QSARs for halogenated aliphatics
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Eriksson L, Jonsson J, Hellberg S, Lindgren F, Sjostrom M, Wold S, Sandstrom B, Svensson. A strategy for ranking environmentally occurring chemicals. Part V: the development of two genotoxicity QSARs for halogenated aliphatics. Environ Toxicol Chem 1991; 10:585-596.
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0027302588
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Modelling the cytotoxicity of halogenated aliphatic hydrocarbons. Quantitative structure-activity relationships for the IC50 to human HeLa cells
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Eriksson L, Sandstrom BE, Tysklind M, Wold S. Modelling the cytotoxicity of halogenated aliphatic hydrocarbons. Quantitative structure-activity relationships for the IC50 to human HeLa cells. Quant Struct Activ Rel 1993; 12:124-131.
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Why regression coefficients have the wrong sign
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Mullet GM. Why regression coefficients have the wrong sign. J Qual Technol 1976; 8:121-126.
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Multivariate analysis of aquatic toxicity data with PLS
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Eriksson L, Hermens JLM, Johansson E, Verhaar HJM, Wold S. Multivariate analysis of aquatic toxicity data with PLS. Aquat Sci 1995; 57:217-241.
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The prediction of Bradykinin potentiating potency of pentapeptides. An example of a peptide quantitative structure-activity relationship
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Hellberg S, Sjostrom M, Wold S. The prediction of Bradykinin potentiating potency of pentapeptides. An example of a peptide quantitative structure-activity relationship. Acta Chem Scand 1986; B40:135-140.
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Minimum analogue peptide sets (MAPS) for quantitative structure-activity relationships
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Hellberg S, Eriksson L, Jonsson J, Lindgren F, Sjostrom M, Skagerberg B, Wold S, Andrews P. Minimum analogue peptide sets (MAPS) for quantitative structure-activity relationships. Int J Peptide Protein Res 1991; 37:414-424.
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Thesis, Umea° University, Umea°, Sweden
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Megavariate analysis of hierarchical biological data
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Eriksson L, Johansson E, Lindgren F, Sjostrom M, Wold S. Megavariate analysis of hierarchical biological data. J Comput-Aided Mol Des 2001; 16:711-726.
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Quantitative structure-function relationships of the single-point mutants of haloalkane dehalogenase: A multivariate approach
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Damborsky J. Quantitative structure-function relationships of the single-point mutants of haloalkane dehalogenase: a multivariate approach. Quant Struct Activ Rel 1997; 16:126-135.
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