Prediction of the n‑octanol/water partition coefficients in the SAMPL6 blind challenge from MST continuum solvation calculations
Zamora Ramírez, William J ; Pinheiro, Silvana de Souza ; German, Kilian ; Rafols Llach, Clara ; Curutchet Barat, Carles E ; Luque Garriga, F. Xavier
Springer Verlag 2019-11
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