2 papers
cs.LG2026
DMMRL: Disentangled Multi-Modal Representation Learning via Variational Autoencoders for Molecular Property Prediction
Long Xu, Junping Guo, Jianbo Zhao +2
Molecular property prediction constitutes a cornerstone of drug discovery and materials science, necessitating models capable of disentangling complex structure-property relationsh…
cs.LG2025
MSCoD: An Enhanced Bayesian Updating Framework with Multi-Scale Information Bottleneck and Cooperative Attention for Structure-Based Drug Design
Long Xu, Yongcai Chen, Fengshuo Liu +1
Structure-Based Drug Design (SBDD) is a powerful strategy in computational drug discovery, utilizing three-dimensional protein structures to guide the design of molecules with impr…