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Journal of Pharmaceutical and Biomedical Analysis|September 21, 2025
A fragment-aware model for novel psychoactive substances analysis with uncertainty quantificationPengfei Liu, Jing Guo, Jun Xie, et al.The Journal of Physical Chemistry Letters|March 26, 2026
META-Tox: Multiview Ensemble with Topological Aggregation for Robust In Vivo Toxicity PredictionPengfei Liu, Jing Guo, Jun Tao, et al.Journal of Chemical Information and Modeling|October 28, 2025
Explainable Analysis for New Psychoactive Substance Identification with Chemical InsightsPengfei Liu, Cuimei Liu, Liang Li, et al.Phytomedicine : International Journal of Phytotherapy and Phytopharmacology|January 31, 2026
Herbal-derived puerarin-berberine cocrystal: Computational insights into mechanisms driving simultaneous enhanced solubility and bioavailabilityLiang Li, Pengfei Liu, Chang Zhang, et al.Computers in Biology and Medicine|February 15, 2024
GIT-Mol: A multi-modal large language model for molecular science with graph, image, and textPengfei Liu, Yiming Ren, Jun Tao, et al.IEEE Transactions on Visualization and Computer Graphics|January 15, 2026
Parallel Clusters: Visual Comparison of Embeddings Based on Multi-Scale Neighborhood AnalysisZehua Yu, Xiaoyi Li, Pengfei Liu, et al.The Journal of Investigative Dermatology. Symposium Proceedings|November 26, 2018
Multifunctional Nanoparticle Approach for Targeting MelanomaJun Li, Jun Xie, Jintao Zhu, et al.Analytical Chemistry|December 10, 2025
A Deep Learning Model for Efficient Nontargeted Screening of New Psychoactive Substances with Benchtop Nuclear Magnetic Resonance DevicesPengfei Liu, Wei Jia, Cuimei Liu, et al.Acta Crystallographica. Section E, Structure Reports Online|May 19, 2011
N-[3-Chloro-4-(3-fluoro-benz-yloxy)phen-yl]-6-iodo-quinazolin-4-amineZhi-Qiang Cai, Jing-Guo Liu, Wei-Wei Zhou, et al.Guang Pu Xue Yu Guang Pu Fen Xi = Guang Pu|May 22, 2015
[Spectrophotometric determination of aromatic amino compounds with J-acid]Xiao-hang Yin, Wen-jian Shi, Xin Shen, et al.Pageof 1,614