Publications

Publications & manuscripts

My name is highlighted; † indicates equal contribution. Original titles and author order are preserved.

Publication status as of 17 October 2026.

First / co-first author

2026Accepted

Bilingua-DPP-IV: A bimodal fusion convolutional neural network model for prediction of dipeptidyl peptidase IV inhibitory peptides

Zhixing Zhang, Qiule Yu, Chen Yang, Hao Duan, Jiaojiao Fang, Jiahao Xu, Changda Gong, Weihua Li, Guixia Liu, Yun Tang

ChemMedChem

Accepted on 11 October 2026; not yet published online.

2024Published

Applications and challenges of artificial intelligence in the development of anticancer peptides

Zhixing Zhang, Hua Deng, Yun Tang

Journal of China Pharmaceutical University · 2024;55(3):347–356.

Review article · in Chinese

DOI: 10.11665/j.issn.1000-5048.2024040201

2024Published

MedChatZH: A tuning LLM for traditional Chinese medicine consultations

Yang Tan†, Zhixing Zhang†, Mingchen Li†, Fei Pan, Hao Duan, Zijie Huang, Hua Deng, Zhuohang Yu, Chen Yang, Guoyang Shen, Peng Qi, Chengyuan Yue, Yuxian Liu, Liang Hong, Huiqun Yu, Guisheng Fan, Yun Tang

Computers in Biology and Medicine · 2024;172:108290.

Co-first author, listed second

DOI: 10.1016/j.compbiomed.2024.108290

Co-authored

2026Published

ToxiCompass: an evidence-tracked benchmark for short-peptide toxicity screening and confidence-aware assay prioritization

Qiule Yu, Zhixing Zhang, Weihua Li, Guixia Liu, Yun Tang

Briefings in Bioinformatics · 2026;27(5):bbag526.

DOI: 10.1093/bib/bbag526

2026Published

ncAA-RepDistill: a chemistry-native SMILES representation for permeability prediction and local edit ranking of non-canonical cyclic peptides

Qiule Yu, Zhixing Zhang, Xiang Li, Weihua Li, Guixia Liu, Yun Tang

Journal of Cheminformatics · 2026. Published online.

DOI: 10.1186/s13321-026-01311-5

2026Published

MCLE-Mol: Empowering LLM with Molecular Comprehension and Low-Cost Continual Evolution for Interpretable Property Prediction

Zhili Pu, Lantian Zhang, Hao Duan, Zhixing Zhang, Keyun Zhu, Yongqi Fan, Ruihui Hou, Tong Ruan, Yun Tang

Findings of the Association for Computational Linguistics: ACL 2026 · 2026:5305–5333.

DOI: 10.18653/v1/2026.findings-acl.262

2026Published

Prediction of Intravenous Pharmacokinetic Parameters across Multiple Species by a Multifidelity Deep Learning Framework

Jiaojiao Fang, Changda Gong, Keyun Zhu, Xiang Li, Chen Yang, Zhixing Zhang, Guixia Liu, Yun Tang, Weihua Li

Journal of Chemical Information and Modeling · 2026;66(2):1035–1049.

DOI: 10.1021/acs.jcim.5c02546

2025Published

In silico prediction of pKa values using explainable deep learning methods

Chen Yang, Changda Gong, Zhixing Zhang, Jiaojiao Fang, Weihua Li, Guixia Liu, Yun Tang

Journal of Pharmaceutical Analysis · 2025;15(6):101174.

DOI: 10.1016/j.jpha.2024.101174

2024Published

ToxGIN: an In silico prediction model for peptide toxicity via graph isomorphism networks integrating peptide sequence and structure information

Qiule Yu, Zhixing Zhang, Guixia Liu, Weihua Li, Yun Tang

Briefings in Bioinformatics · 2024;25(6):bbae583.

DOI: 10.1093/bib/bbae583

2023Published

Discovering the Active Ingredients of Medicine and Food Homologous Substances for Inhibiting the Cyclooxygenase-2 Metabolic Pathway by Machine Learning Algorithms

Yujia Tian, Zhixing Zhang, Aixia Yan

Molecules · 2023;28(19):6782.

DOI: 10.3390/molecules28196782

Under review

2026Under review

PepMinerva: an evidence-grounded agent for extracting experimentally validated therapeutic peptide activities from full-text literature

Zhixing Zhang, Chen Yang, Qiule Yu, Hao Duan, Jiaojiao Fang, Jiahao Xu, Weihua Li, Guixia Liu, Yun Tang

Protein Science