@article{evaluatingtheroughnessofstructure, title = {Evaluating the roughness of structure-property relationships using pretrained molecular representations}, author = {David E. Graff and Edward O. Pyzer-Knapp and Kirk E. Jordan and Eugene I. Shakhnovich and Connor W. Coley}, year = {2023}, eprint = {2305.08238}, archivePrefix = {arXiv}, url = {https://arxiv.org/abs/2305.08238v1}, }