A Novel Structure-Based Multimode QSAR Method Affords Predictive Models for Phosphodiesterase Inhibitors.
Xialan DongJerry Osagie EbalunodeSung Jin ChoWeifan ZhengPublished in: J. Chem. Inf. Model. (2010)
Keyphrases
- similarity measure
- objective function
- preprocessing
- prior knowledge
- significant improvement
- probabilistic model
- high accuracy
- parameter estimation
- predictive model
- statistical methods
- machine learning methods
- statistical model
- detection method
- dynamic programming
- pairwise
- clustering method
- synthetic data
- support vector machine
- cost function
- linear regression
- prediction model
- numerical methods
- modeling method