activity
20222026
most citedDrugOOD: Out-of-Distribution (OOD) Dataset Curator and Benchmark for AI-aided Drug Discovery -- A Focus on Affinity Prediction Problems with Noise Annotations

21 citations · 29 across the 4 of their papers we have counts for

collaborators

5 papers

cs.LG2026

HiSTOR: Structured Treatment-outcome Representation Learning for High-Dimensional Longitudinal Data

Chuanqi Lao, Junzhou Huang, Qiao Liu

Estimating potential outcomes under alternative treatment sequences is essential for personalized decision-making, but remains challenging with high-dimensional covariates and time…

cs.LG2025

InversionGNN: A Dual Path Network for Multi-Property Molecular Optimization

Yifan Niu, Ziqi Gao, Tingyang Xu +5

Exploring chemical space to find novel molecules that simultaneously satisfy multiple properties is crucial in drug discovery. However, existing methods often struggle with trading…

cs.CV2025

DELST: Dual Entailment Learning for Hyperbolic Image-Gene Pretraining in Spatial Transcriptomics

Xulin Chen, Junzhou Huang

Spatial transcriptomics (ST) maps gene expression within tissue at individual spots, making it a valuable resource for multimodal representation learning. Additionally, ST inherent…

cs.AI2025★ 8 cited

Natural Language-Assisted Multi-modal Medication Recommendation

Jie Tan, Yu Rong, Kangfei Zhao +5

Combinatorial medication recommendation(CMR) is a fundamental task of healthcare, which offers opportunities for clinical physicians to provide more precise prescriptions for patie…

cs.LG2022★ 21 cited

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 +16

AI-aided drug discovery (AIDD) is gaining increasing popularity due to its promise of making the search for new pharmaceuticals quicker, cheaper and more efficient. In spite of its…