Predicting octanol/water partition coefficients using molecular simulation for the SAMPL7 challenge: comparing the use of neat and water saturated 1-octanol. - Spencer J. Sabatino; Andrew S. Paluch (J. Comput. Aided Mol. Des., 2021)

Predicting octanol/water partition coefficients and pKa for the SAMPL7 challenge using the SM12, SM8 and SMD solvation models. - Sergio A. Rodriguez; Jasmine Vy Tran; Spencer J. Sabatino; Andrew S. Paluch (J. Comput. Aided Mol. Des., 2022)