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Are we Making Much Progress? Revisiting Chemical Reaction Yield Prediction from an Imbalanced Regression Perspective.

, , , , , , and . WWW (Companion Volume), page 790-793. ACM, (2024)

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Graph-based Molecular Representation Learning., , , , , , , , , and 1 other author(s). IJCAI, page 6638-6646. ijcai.org, (2023)What indeed can GPT models do in chemistry? A comprehensive benchmark on eight tasks., , , , , , , and . CoRR, (2023)Comparative genome-scale metabolic reconstruction and flux balance analysis of multiple Staphylococcus aureus genomes identify novel antimicrobial drug targets., , , , , , , and . Journal of bacteriology, 191 (12): 4015--4024 (Jun 15, 2009)Graph-based Molecular Representation Learning., , , , , and . CoRR, (2022)Few-Shot Graph Learning for Molecular Property Prediction., , , , , , and . WWW, page 2559-2567. ACM / IW3C2, (2021)Large Language Model based Multi-Agents: A Survey of Progress and Challenges., , , , , , , and . CoRR, (2024)Modeling non-uniform uncertainty in Reaction Prediction via Boosting and Dropout., , , , , , , , and . CoRR, (2023)Are we Making Much Progress? Revisiting Chemical Reaction Yield Prediction from an Imbalanced Regression Perspective., , , , , , and . WWW (Companion Volume), page 790-793. ACM, (2024)Learning Over Molecular Conformer Ensembles: Datasets and Benchmarks., , , , , , , , , and 3 other author(s). CoRR, (2023)A Mapping of Drug Space from the Viewpoint of Small Molecule Metabolism., , , , , , and . PLoS Comput. Biol., (2009)