Evaluation of Cross-Validation Strategies in Sequence-Based Binding Prediction Using Deep Learning.
Angela Lopez-del RioAlfons Nonell-CanalsDavid VidalAlexandre Perera-LlunaPublished in: J. Chem. Inf. Model. (2019)
Keyphrases
- cross validation
- deep learning
- model selection
- support vector
- unsupervised learning
- hyperparameters
- cross validated
- ls svm
- least squares support vector machine
- machine learning
- error estimates
- training set
- unsupervised feature learning
- prediction model
- weakly supervised
- generalization error
- neural network
- high dimensional
- feature extraction
- data mining