HS-DTI: Drug-target Interaction Prediction Based on Hierarchical Networks and Multi-order Sequence Effect. - Xu Gong; Maotao Liu; Haichao Sun; Min Li; Qun Liu 005 (BIBM, 2022)

HierMRL: Hierarchical Structure-Aware Molecular Representation Learning for Property Prediction. - Maotao Liu; Yifan Yang 008; Xu Gong; Li Liu 030; Qun Liu 005 (BIBM, 2022)

Simple Flow-Based Contrastive Learning for BERT Sentence Representations. - Ziyi Tian; Qun Liu 005; Maotao Liu; Wei Deng 003 (ICSI (2), 2022)

A Knowledge-Driven Self-Supervised Approach for Molecular Generation. - Maotao Liu; Yifan Yang 008; Qun Liu 005; Li Liu 030; Guoyin Wang 001 (IEEE ACM Trans. Comput. Biol. Bioinform., 2024)

Mol-L2: Transferring text knowledge with frozen language models for molecular representation learning. - Maotao Liu; Qun Liu 005; Xu Gong; Yunsong Luo; Guoyin Wang 001 (Neurocomputing, 2025)

MDFCL: Multimodal data fusion-based graph contrastive learning framework for molecular property prediction. - Xu Gong; Maotao Liu; Qun Liu 005; Yike Guo; Guoyin Wang 001 (Pattern Recognit., 2025)