2 papers
q-bio.QM2026
Empowering Chemical Structures with Biological Insights for Scalable Phenotypic Virtual Screening
Xiaoqing Lian, Pengsen Ma, Tengfeng Ma +9
Motivation: The scalable identification of bioactive compounds is essential for contemporary drug discovery. This process faces a key trade-off: structural screening offers scalabi…
cs.LG2025
Inductive-Associative Meta-learning Pipeline with Human Cognitive Patterns for Unseen Drug-Target Interaction Prediction
Xiaoqing Lian, Jie Zhu, Tianxu Lv +7
Significant differences in protein structures hinder the generalization of existing drug-target interaction (DTI) models, which often rely heavily on pre-learned binding principles…