Ziyan Zhu

Undergraduate Student

China Pharmaceutical University

Research Interests

AI for drug discovery

Drug–target interaction (DTI) prediction

GNN-based molecular representation learning

Bioinformatics

About

I am an undergraduate student in Pharmaceutics at China Pharmaceutical University, advised by Dr. Yanmin Zhang and Dr. Yun Xia.

My current research focuses on AI for drug discovery, particularly drug–target interaction (DTI) prediction and GNN-based molecular representation learning. My work also spans bioinformatics and transcriptomic data analysis.

Publications

Multiscale Hypergraph Masked Autoencoder with Δ-Property Alignment for Novel Molecular Representation Learning

Ziyan Zhu, Yijie Wang, Xian Wei^*, Yanmin Zhang^*

Journal of Chemical Information and Modeling

Multiscale Hypergraph Masked Autoencoder with Δ-Property Alignment for Novel Molecular Representation Learning - preview 1

Multiscale Hypergraph Masked Autoencoder with Δ-Property Alignment for Novel Molecular Representation Learning - preview 2

A novel multiscale hypergraph masked autoencoder with delta-property alignment for molecular representation learning.

Awards

Honors and awards I have received.

National Grand Prize, 19th 'Challenge Cup' National Undergraduate Science and Technology Competition (First Author)

Nov. 2025

Communist Youth League of China, CAST, Ministry of Education, etc.

Project 'Molecular Intelligence Map: Hypergraph Masked Autoencoder-based Intelligent Drug-Target Interaction Prediction Platform' won the Grand Prize in the 'AI+' special category.

National Grand Prize, 19th 'Challenge Cup' National Undergraduate Science and Technology Competition (First Author) - image 1

National Grand Prize, 19th 'Challenge Cup' National Undergraduate Science and Technology Competition (First Author) - image 2