Statistical Confidence for Variable Selection in QSAR Models via Monte Carlo Cross-Validation.
Dmitry A. KonovalovNigel SimEric DeconinckYvan Vander HeydenDanny CoomansPublished in: J. Chem. Inf. Model. (2008)
Keyphrases
- cross validation
- variable selection
- monte carlo
- model selection
- monte carlo simulation
- input variables
- hyperparameters
- statistical inference
- parameter estimation
- support vector
- generalization error
- markov chain
- confidence intervals
- training set
- regularization parameter
- leave one out cross validation
- sample size
- ls svm
- regression problems
- monte carlo tree search
- regression model
- probabilistic model