Quantitative Structure-Activity Relationship Studies Using Gaussian Processes.

Frank R. Burden

Published in: J. Chem. Inf. Comput. Sci. (2001)

Keyphrases

gaussian processes
quantitative structure activity
drug design
drug discovery
gaussian process
gaussian process regression
covariance function
gaussian process models
multi task
reinforcement learning
multi class
regression model
early stage
protein structure prediction