Marcus Olivecrona, Thomas Blaschke, Ola Engkvist, Hongming Chen. Molecular de-novo design through deep reinforcement learning. J. Cheminformatics, 9(1), 2017. [doi]
@article{OlivecronaBEC17,
title = {Molecular de-novo design through deep reinforcement learning},
author = {Marcus Olivecrona and Thomas Blaschke and Ola Engkvist and Hongming Chen},
year = {2017},
doi = {10.1186/s13321-017-0235-x},
url = {https://doi.org/10.1186/s13321-017-0235-x},
researchr = {https://researchr.org/publication/OlivecronaBEC17},
cites = {0},
citedby = {0},
journal = {J. Cheminformatics},
volume = {9},
number = {1},
}