Determining the Validity of a QSAR Model - A Classification Approach.
Rajarshi GuhaPeter C. JursPublished in: J. Chem. Inf. Model. (2005)
Keyphrases
- automatic classification
- pattern recognition
- theoretical analysis
- data sets
- classification algorithm
- computational model
- parameter estimation
- support vector machine
- probabilistic model
- classification method
- feature space
- objective function
- pattern classification
- decision trees
- clustering algorithm
- conceptual model
- classification models
- decision rules
- mathematical model
- management system
- machine learning algorithms
- model selection
- input data
- hidden markov models
- prior knowledge
- training data
- feature extraction
- high level
- neural network