Statistical Confidence for Variable Selection in QSAR Models via Monte Carlo Cross-Validation

Journal of Chemical Information and Modeling - Tập 48 Số 2 - Trang 370-383 - 2008
Dmitry A. Konovalov1, Nigel Sim1, Eric Deconinck1, Yvan Vander Heyden1, D. Coomans1
1School of Mathematics, Physics and Information Technology, James Cook University, Townsville, Queensland 4811, Australia, Laboratory for Pharmaceutical Technology and Biopharmacy, Katholieke Universiteit Leuven, B-3000 Leuven, Belgium, and Department of Analytical Chemistry and Pharmaceutical Technology, Pharmaceutical Institute, Vrije Universiteit Brussel, B-1050 Brussels, Belgium

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