DrugOOD: Out-of-Distribution Dataset Curator and Benchmark for AI-Aided Drug Discovery - a Focus on Affinity Prediction Problems with Noise Annotations

Yuanfeng Ji, Lu Zhang, Jiaxiang Wu 0001, Bingzhe Wu, Lanqing Li, Long-Kai Huang, Tingyang Xu, Yu Rong, Jie Ren, Ding Xue, Houtim Lai, Wei Liu, JunZhou Huang, Shuigeng Zhou, Ping Luo, Peilin Zhao, Yatao Bian. DrugOOD: Out-of-Distribution Dataset Curator and Benchmark for AI-Aided Drug Discovery - a Focus on Affinity Prediction Problems with Noise Annotations. In Brian Williams 0001, Yiling Chen 0001, Jennifer Neville, editors, Thirty-Seventh AAAI Conference on Artificial Intelligence, AAAI 2023, Thirty-Fifth Conference on Innovative Applications of Artificial Intelligence, IAAI 2023, Thirteenth Symposium on Educational Advances in Artificial Intelligence, EAAI 2023, Washington, DC, USA, February 7-14, 2023. pages 8023-8031, AAAI Press, 2023. [doi]

@inproceedings{JiZ0WLHXRRXLLHZ23,
  title = {DrugOOD: Out-of-Distribution Dataset Curator and Benchmark for AI-Aided Drug Discovery - a Focus on Affinity Prediction Problems with Noise Annotations},
  author = {Yuanfeng Ji and Lu Zhang and Jiaxiang Wu 0001 and Bingzhe Wu and Lanqing Li and Long-Kai Huang and Tingyang Xu and Yu Rong and Jie Ren and Ding Xue and Houtim Lai and Wei Liu and JunZhou Huang and Shuigeng Zhou and Ping Luo and Peilin Zhao and Yatao Bian},
  year = {2023},
  url = {https://ojs.aaai.org/index.php/AAAI/article/view/25970},
  researchr = {https://researchr.org/publication/JiZ0WLHXRRXLLHZ23},
  cites = {0},
  citedby = {0},
  pages = {8023-8031},
  booktitle = {Thirty-Seventh AAAI Conference on Artificial Intelligence, AAAI 2023, Thirty-Fifth Conference on Innovative Applications of Artificial Intelligence, IAAI 2023, Thirteenth Symposium on Educational Advances in Artificial Intelligence, EAAI 2023, Washington, DC, USA, February 7-14, 2023},
  editor = {Brian Williams 0001 and Yiling Chen 0001 and Jennifer Neville},
  publisher = {AAAI Press},
  isbn = {978-1-57735-880-0},
}