Kedi Wu, Zhixiong Zhao, Renxiao Wang, Guo-Wei Wei. TopP-S: Persistent homology-based multi-task deep neural networks for simultaneous predictions of partition coefficient and aqueous solubility. Journal of Computational Chemistry, 39(20):1444-1454, 2018. [doi]
@article{WuZWW18-2,
title = {TopP-S: Persistent homology-based multi-task deep neural networks for simultaneous predictions of partition coefficient and aqueous solubility},
author = {Kedi Wu and Zhixiong Zhao and Renxiao Wang and Guo-Wei Wei},
year = {2018},
doi = {10.1002/jcc.25213},
url = {https://doi.org/10.1002/jcc.25213},
researchr = {https://researchr.org/publication/WuZWW18-2},
cites = {0},
citedby = {0},
journal = {Journal of Computational Chemistry},
volume = {39},
number = {20},
pages = {1444-1454},
}