Title
Sub-Clustering for Class Distance Recalculation in Long-Tailed Drug Classification Yujia Su Xinjie Li Lionel Z. Wang 30 0 0 07 Apr 2025
Holistic chemical evaluation reveals pitfalls in reaction prediction models Victor Sabanza Gil Andres M Bran Malte Franke Remi Schlama J. Luterbacher Philippe Schwaller ELM 25 1 0 14 Dec 2023
DrugOOD: Out-of-Distribution (OOD) Dataset Curator and Benchmark for AI-aided Drug Discovery -- A Focus on Affinity Prediction Problems with Noise Annotations Yuanfeng Ji Lu Zhang Jiaxiang Wu Bing Wu Long-Kai Huang ... Ping Luo Shuigeng Zhou Junzhou Huang Peilin Zhao Yatao Bian OOD 63 73 0 24 Jan 2022
Influence-Balanced Loss for Imbalanced Visual Classification Seulki Park Jongin Lim Younghan Jeon J. Choi CVBM 87 132 0 06 Oct 2021
Trustworthy AI: From Principles to Practices Bo-wen Li Peng Qi Bo Liu Shuai Di Jingen Liu Jiquan Pei Jinfeng Yi Bowen Zhou 119 355 0 04 Oct 2021
Mapping the Space of Chemical Reactions Using Attention-Based Neural Networks P. Schwaller Daniel Probst Alain C. Vaucher Vishnu H. Nair D. Kreutter Teodoro Laino J. Reymond 144 224 0 09 Dec 2020
Balanced Meta-Softmax for Long-Tailed Visual Recognition Jiawei Ren Cunjun Yu Shunan Sheng Xiao Ma Haiyu Zhao Shuai Yi Hongsheng Li 170 549 0 21 Jul 2020
BBN: Bilateral-Branch Network with Cumulative Learning for Long-Tailed Visual Recognition Boyan Zhou Quan Cui Xiu-Shen Wei Zhao-Min Chen 250 782 0 05 Dec 2019
MoleculeNet: A Benchmark for Molecular Machine Learning Zhenqin Wu Bharath Ramsundar Evan N. Feinberg Joseph Gomes C. Geniesse Aneesh S. Pappu K. Leswing Vijay S. Pande OOD 172 1,775 0 02 Mar 2017
SMOTE: Synthetic Minority Over-sampling Technique Nitesh V. Chawla Kevin W. Bowyer Lawrence Hall W. Kegelmeyer AI4TS 163 25,247 0 09 Jun 2011