Proto-Yield: An Uncertainty-Aware Prototype Network for Yield Prediction in Real-world Chemical Reactions
Kehan Guo, Zhen Liu, Zhichun Guo, Bozhao Nan, Olexandr Isayev, Nitesh Chawla, Olaf Wiest, Xiangliang Zhang
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Proto-Yield: An Uncertainty-Aware Prototype Network for Yield Prediction in Real-world Chemical Reactions.
Cite This Paper
@inproceedings{Guo2025,
author = {Guo, Kehan and Liu, Zhen and Guo, Zhichun and Nan, Bozhao and Isayev, Olexandr and Chawla, Nitesh and Wiest, Olaf and Zhang, Xiangliang},
title = {Proto-Yield: An Uncertainty-Aware Prototype Network for Yield Prediction in Real-world Chemical Reactions},
year = {2025},
booktitle = {Proceedings of the 34th ACM International Conference on Information and Knowledge Management},
pages = {791--801},
doi = {10.1145/3746252.3761323},
url = {http://dx.doi.org/10.1145/3746252.3761323},
publisher = {ACM},
researchAreas = {reactions-reactivity},
highlight = {Proto-Yield: An Uncertainty-Aware Prototype Network for Yield Prediction in Real-world Chemical Reactions.}
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