Nicolas Tielker, Daniel Tomazic, Lukas Eberlein, Stefan Güssregen, Stefan M. Kast. The SAMPL6 challenge on predicting octanol-water partition coefficients from EC-RISM theory. Journal of Computer-Aided Molecular Design, 34(4):453-461, 2020. [doi]
@article{TielkerTEGK20,
title = {The SAMPL6 challenge on predicting octanol-water partition coefficients from EC-RISM theory},
author = {Nicolas Tielker and Daniel Tomazic and Lukas Eberlein and Stefan Güssregen and Stefan M. Kast},
year = {2020},
doi = {10.1007/s10822-020-00283-4},
url = {https://doi.org/10.1007/s10822-020-00283-4},
researchr = {https://researchr.org/publication/TielkerTEGK20},
cites = {0},
citedby = {0},
journal = {Journal of Computer-Aided Molecular Design},
volume = {34},
number = {4},
pages = {453-461},
}