Hongxin Xiang

MaskMol improves molecular image representation for activity cliff detection and compound potency prediction, outperforming existing methods across 20 targets.

This paper introduces GENiPPI, a molecular generative framework for PPI interfaces, which generates novel compounds targeting PPIs and demonstrates its effectiveness in capturing interface-molecule relationships.

SearchNovo improves peptide sequencing by combining database search and de novo methods, outperforming existing models on multiple datasets.