Accurate estimation of solvation free energy using polynomial fitting techniques.

Conrad Shyu F. Marty Ytreberg

Published in: J. Comput. Chem. (2011)

Keyphrases

accurate estimation
free energy
belief propagation
fixed point
upper bound
competitive learning
posterior distribution
approximate inference
least squares
parameter estimation
graphical models
neural network
bayesian networks
optimal solution
generalized belief propagation