Multivariate Chemometrics in QSAR: A Dialogue (Chemometrics Research Studies Press)

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9780471915706: Multivariate Chemometrics in QSAR: A Dialogue (Chemometrics Research Studies Press)

Applies a number of multivariate methods to medicinal, agricultural, and organic chemistry, with particular focus on multiple and multivariate regression and principle component analysis. Presents the experimental design, assumptions, advantages, and limitations of the tests employed. While theoretical procedures are exemplified on numerical data, the theory underlying these techniques are described in nonmathematical terms. In an effort to strive for °scientific unity through a diversity of opinions,° peer commentaries by prominent researchers are included in the text, enabling experimenters to better decide the advantages of various methods and the quantitative structure-activity analysis as a whole.

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