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Blind prediction of cyclohexane-water distribution coefficients from the SAMPL5 challenge.
Caitlin C. Bannan
Kalistyn H. Burley
Michael Chiu
Michael R. Shirts
Michael K. Gilson
David L. Mobley
Published in:
J. Comput. Aided Mol. Des. (2016)
Keyphrases
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water distribution
prediction model
water supply
water flow