A QSAR for the hydroxyl radical reaction rate constant: validation, domain of application, and prediction

An Analysis of Transformations

George E. P. Box, David R. Cox · Journal of the Royal Statistical Society Series B (Statistical Methodology) · 1964 · 15.1K citations

Computing, Mathematics, Bayesian Data Analysis +14

PLS-regression: a basic tool of chemometrics

Svante Wold, Michael Sjöstróm, Lennart Eriksson · Chemometrics and Intelligent Laboratory Systems · 2001 · 9.7K citations

Natural Sciences, Chemistry, Analytical Chemistry +6

Multivariate calibration

David Steele · Spectrochimica Acta Part A Molecular Spectroscopy · 1990 · 2.2K citations

The Importance of Being Earnest: Validation is the Absolute Essential for Successful Application and Interpretation of QSPR Models

Alexander Tropsha, Paola Gramatica, Vijay K. Gombar · QSAR & Combinatorial Science · 2003 · 2.2K citations

Pharmacy, Medicinal Chemistry, Drug Design +16

Analysis of variance (ANOVA)

Lars St hle, Svante Wold · Chemometrics and Intelligent Laboratory Systems · 1989 · 1.1K citations

Education, Biostatistics, Experimental Design +5