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Predicting water-to-cyclohexane partitioning of the SAMPL5 molecules using dielectric balancing of force fields.
S. Shanaka Paranahewage
Cassidy S. Gierhart
Christopher J. Fennell
Published in:
J. Comput. Aided Mol. Des. (2016)
Keyphrases
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computer vision
control system
water quality
neural network
case study
steady state
water resources
water level
molecular structure