Assessing the accuracy of octanol-water partition coefficient predictions in the SAMPL6 Part II log P Challenge
M. Isık, T. D. Bergazin, T. Fox, A. Rizzi, J. D. Chodera, D. L. Mobley
This paper evaluates the accuracy of octanol-water partition coefficient predictions in the SAMPL6 log P Challenge, finding improved performance compared to previous challenges and highlighting the effectiveness of various methods.
bioRxiv · Jan 20, 2020Biophysics