Assessment of Methods To Define the Applicability Domain of Structural Alert Models.
Claire M. EllisonRichard SherhodMark T. D. CroninSteven J. EnochJudith C. MaddenPhilip N. JudsonPublished in: J. Chem. Inf. Model. (2011)
Keyphrases
- statistical models
- machine learning methods
- parameter estimation
- significant improvement
- linear models
- empirical studies
- statistical methods
- qualitative and quantitative
- learning models
- cross validation
- domain independent
- probabilistic model
- mathematical models
- neural network
- predictive power
- domain models
- structural models