Jiazhen He, Huifang You, Emil Sandström, Eva Nittinger, Esben Jannik Bjerrum, Christian Tyrchan, Werngard Czechtizky, Ola Engkvist. Molecular optimization by capturing chemist's intuition using deep neural networks. J. Cheminformatics, 13(1):26, 2021. [doi]
@article{HeYSNBTCE21,
title = {Molecular optimization by capturing chemist's intuition using deep neural networks},
author = {Jiazhen He and Huifang You and Emil Sandström and Eva Nittinger and Esben Jannik Bjerrum and Christian Tyrchan and Werngard Czechtizky and Ola Engkvist},
year = {2021},
doi = {10.1186/s13321-021-00497-0},
url = {https://doi.org/10.1186/s13321-021-00497-0},
researchr = {https://researchr.org/publication/HeYSNBTCE21},
cites = {0},
citedby = {0},
journal = {J. Cheminformatics},
volume = {13},
number = {1},
pages = {26},
}