DeepP450: Predicting Human P450 Activities of Small Molecules by Integrating Pretrained Protein Language Model and Molecular Representation. - Jiamin Chang; Xiaoyu Fan 001; Boxue Tian (J. Chem. Inf. Model., 2024)

SynthMol: A Drug Safety Prediction Framework Integrating Graph Attention and Molecular Descriptors into Pre-Trained Geometric Models. - Zidong Su; Rong Zhang; Xiaoyu Fan 001; Boxue Tian (J. Chem. Inf. Model., 2025)

Improving the accuracy and generalizability of molecular property regression models with a substructure-substitution-rule-informed framework. - Xiaoyu Fan 001; Lin Guo; Ruizhen Jia; Yang Tian; Zhihao Yang; Boxue Tian (CoRR, 2025)

LLaDA-TTS: Unifying Speech Synthesis and Zero-Shot Editing via Masked Diffusion Modeling. - Xiaoyu Fan 001; Huizhi Xie; Wei Zou; Yunzhang Chen (CoRR, 2026)