Validated QSAR Prediction of OH Tropospheric Degradation of VOCs: Splitting into Training-Test Sets and Consensus Modeling.
Paola GramaticaPamela PiluttiEster PapaPublished in: J. Chem. Inf. Model. (2004)
Keyphrases
- test set
- training set
- error rate
- training data
- prediction accuracy
- test data
- drug design
- evaluation methodology
- prediction algorithm
- feature selection
- supervised learning
- training examples
- test cases
- training and test sets
- random selection
- models built
- multi layer perceptron
- prediction model
- model selection
- lower bound
- bayesian networks
- feature extraction