Predictive Flip Regression: A Technique for QSAR of Derivatives of Symmetric Molecules.
Brian W. ClareClaudiu T. SupuranPublished in: J. Chem. Inf. Model. (2005)
Keyphrases
- predictive clustering trees
- regression model
- higher order
- linear regression
- ridge regression
- regression algorithm
- conformal prediction
- model selection
- regression problems
- predictive modeling
- classification and regression problems
- regression analysis
- gaussian processes
- drug discovery
- gaussian process regression
- predictive model
- quasi invariant
- response variable
- support vector regression
- locally weighted
- machine learning
- molecular interactions
- rendezvous search
- multivariate regression
- partial least squares
- drug design
- regression function
- neural network
- reproducing kernel hilbert space