Robust Cross-Validation of Linear Regression QSAR Models.
Dmitry A. KonovalovLyndon E. LlewellynYvan Vander HeydenDanny CoomansPublished in: J. Chem. Inf. Model. (2008)
Keyphrases
- linear regression
- cross validation
- regression problems
- model selection
- linear models
- regression methods
- least squares
- nonlinear regression
- variable selection
- locally weighted
- training set
- support vector
- regression trees
- machine learning
- cross validated
- hyperparameters
- unseen data
- information criterion
- genetic programming
- logistic regression
- nearest neighbor classifiers
- linear model
- regression model
- maximum likelihood
- data sets