Journal of computational chemistryHumansCell LineTumorDrug DiscoveryAntineoplastic Agents
DMPE: A Dual-Branch Molecular Property Encapsulation Framework With Kolmogorov-Arnold Networks.
Lihui Duo, Bencan Tang, Jonathan D Hirst, Hua Xie, Jianfeng Ren
Published: 202510.1002/jcc.70273
Abstract
Accurate molecular representation learning is critical for accelerating property prediction in drug discovery. Here, we propose the Dual-branch Molecular Property Encapsulation (DMPE) framework. Its core component, the Refined Interactive Graph Atten…
Preview only. Read the full abstract at the source