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Calculation of Relative Free Energy Differrences for the Covalent Hydration of Organic Compounds: A Combined Quantum Mechanical and Free Energy Perturbation Study.
Mark D. Erion
M. Rami Reddy
Published in:
J. Comput. Chem. (1995)
Keyphrases
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free energy
belief propagation
upper bound
fixed point
approximate inference
competitive learning
posterior distribution
graphical models
neural network
machine learning
hidden markov models
markov random field
energy minimization