Support Vector Machines for the Estimation of Aqueous Solubility.
Peter LindTatiana MaltsevaPublished in: J. Chem. Inf. Comput. Sci. (2003)
Keyphrases
- support vector
- learning machines
- large margin classifiers
- logistic regression
- kernel methods
- estimation algorithm
- cross validation
- generalization ability
- estimation accuracy
- classification accuracy
- support vector machine
- maximum likelihood estimation
- feature selection
- decision function
- multi class classification
- svm classifier
- monte carlo simulation
- hyperplane
- kernel function
- model selection
- em algorithm
- artificial neural networks
- training set
- training data
- feature extraction