Puck van Gerwen, Alberto Fabrizio, Matthew D. Wodrich, Clémence Corminboeuf. Physics-based representations for machine learning properties of chemical reactions. Mach. Learn. Sci. Technol., 3(4):45005, December 2022. [doi]
@article{GerwenFWC22,
title = {Physics-based representations for machine learning properties of chemical reactions},
author = {Puck van Gerwen and Alberto Fabrizio and Matthew D. Wodrich and Clémence Corminboeuf},
year = {2022},
month = {December},
doi = {10.1088/2632-2153/ac8f1a},
url = {https://doi.org/10.1088/2632-2153/ac8f1a},
researchr = {https://researchr.org/publication/GerwenFWC22},
cites = {0},
citedby = {0},
journal = {Mach. Learn. Sci. Technol.},
volume = {3},
number = {4},
pages = {45005},
}