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Bozhao Nan
Bozhao Nan
University of Notre Dame
Verified email at nd.edu
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Year
What can large language models do in chemistry? a comprehensive benchmark on eight tasks
T Guo, B Nan, Z Liang, Z Guo, N Chawla, O Wiest, X Zhang
Advances in Neural Information Processing Systems 36, 59662-59688, 2023
72*2023
Graph-based molecular representation learning
Z Guo, K Guo, B Nan, Y Tian, RG Iyer, Y Ma, O Wiest, X Zhang, W Wang, ...
arXiv preprint arXiv:2207.04869, 2022
462022
On the use of real-world datasets for reaction yield prediction
M Saebi, B Nan, JE Herr, J Wahlers, Z Guo, AM Zurański, T Kogej, ...
Chemical science 14 (19), 4997-5005, 2023
43*2023
Strategic elements in computer-assisted retrosynthesis: A case study of the pupukeanane natural products
MA Hardy, B Nan, O Wiest, R Sarpong
Tetrahedron 104, 132584, 2022
72022
Modeling non-uniform uncertainty in Reaction Prediction via Boosting and Dropout
T Guo, C Ma, X Chen, B Nan, K Guo, S Pei, NV Chawla, O Wiest, X Zhang
arXiv preprint arXiv:2310.04674, 2023
42023
Examination of Milstein Ru-PNN and Rh-Tribi/Tetrabi dual metal catalyst for isomerization-linear-hydroformylation of C4 raffinate and internal olefins
R Zhang, X Yan, ST Bai, C Chen, B Nan, B Ma, J Wen, X Zhang
Green Synthesis and Catalysis 3 (1), 40-45, 2022
42022
Are we making much progress? Revisiting chemical reaction yield prediction from an imbalanced regression perspective
Y Ma, X Huang, B Nan, N Moniz, X Zhang, O Wiest, NV Chawla
Companion Proceedings of the ACM on Web Conference 2024, 790-793, 2024
12024
Learning Over Molecular Conformer Ensembles: Datasets and Benchmarks
Y Zhu, J Hwang, K Adams, Z Liu, B Nan, B Stenfors, Y Du, J Chauhan, ...
The Twelfth International Conference on Learning Representations, 2023
12023
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