Xuhan Liu, Kai Ye, Herman W. T. van Vlijmen, Michael T. M. Emmerich, Adriaan P. IJzerman, Gerard J. P. van Westen. DrugEx v2: de novo design of drug molecules by Pareto-based multi-objective reinforcement learning in polypharmacology. J. Cheminformatics, 13(1):85, 2021. [doi]
@article{LiuYVEIW21,
title = {DrugEx v2: de novo design of drug molecules by Pareto-based multi-objective reinforcement learning in polypharmacology},
author = {Xuhan Liu and Kai Ye and Herman W. T. van Vlijmen and Michael T. M. Emmerich and Adriaan P. IJzerman and Gerard J. P. van Westen},
year = {2021},
doi = {10.1186/s13321-021-00561-9},
url = {https://doi.org/10.1186/s13321-021-00561-9},
researchr = {https://researchr.org/publication/LiuYVEIW21},
cites = {0},
citedby = {0},
journal = {J. Cheminformatics},
volume = {13},
number = {1},
pages = {85},
}