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Molecular Simulation of Alkyl Boronic Acids: Molecular Mechanics and Solvation Free Energy Calculations.
Xiannong Chen
Libero Bartolotti
Khalid Ishaq
Alexander Tropsha
Published in:
J. Comput. Chem. (1994)
Keyphrases
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free energy
three dimensional
graphical models
belief propagation
computer vision
image sequences
objective function
upper bound
model selection
fixed point