APA   Click to copy
Zheng, K., Zhang, K., Tan, J., Chen, X., Lu, Y., Zhang, Z., … Liang, Z. (2026). Beyond Affinity: A Benchmark of 1D, 2D, and 3D Methods Reveals Critical Trade-offs in Structure-Based Drug Design. Transactions on Machine Learning Research.

Chicago/Turabian   Click to copy
Zheng, Kangyu, Kai Zhang, Jiale Tan, Xuehan Chen, Yingzhou Lu, Zaixi Zhang, Lichao Sun, Marinka Zitnik, Tianfan Fu, and Zhiding Liang. “Beyond Affinity: A Benchmark of 1D, 2D, and 3D Methods Reveals Critical Trade-Offs in Structure-Based Drug Design.” Transactions on Machine Learning Research (2026).

MLA   Click to copy
Zheng, Kangyu, et al. “Beyond Affinity: A Benchmark of 1D, 2D, and 3D Methods Reveals Critical Trade-Offs in Structure-Based Drug Design.” Transactions on Machine Learning Research, 2026.

@article{kangyu2026a,
  title = {Beyond Affinity: A Benchmark of 1D, 2D, and 3D Methods Reveals Critical Trade-offs in Structure-Based Drug Design},
  year = {2026},
  journal = {Transactions on Machine Learning Research},
  author = {Zheng, Kangyu and Zhang, Kai and Tan, Jiale and Chen, Xuehan and Lu, Yingzhou and Zhang, Zaixi and Sun, Lichao and Zitnik, Marinka and Fu, Tianfan and Liang, Zhiding}
}