Journal Publications

• [1]An end-to-end method for palm-leaf manuscript segmentation based on U-Net.Journal of Cultural Heritage, 2023, 63: 169-178.
• [2]Accelerating the generation and discovery of high performance donor materials for organic solar cells by deep learning.Journal of Materials Chemistry A, 2024, 12: 21813.
• [3]BiBERTa: a self-supervised framework for accelerating the discovery of stable organic photovoltaic materials.Journal of Materials Chemistry A, 2025, 13: 23570 - 23580.
• [4]A Lion-Optimized EfficientNet Framework for Non-Destructive and Rapid Plant Species Identification in Palm-Leaf Manuscripts.npj Heritage Science, 2025, 13: 618.
• [5]Automatic damage identification of Sanskrit palm leaf manuscripts with SegFormer.Heritage Science, 2024, 12: 8.
• [6]MWFormer: Estimation of Molecular Weights from Electron Ionization Mass Spectra for Improved Library Searching.Analytical Chemistry, 2025, 97: 212-219.
• [7]CSU-MS2: A Contrastive Learning Framework for Cross-Modal Compound Identification from MS/MS Spectra to Molecular Structures.Analytical Chemistry, 2025, 97: 13350-13360.
• [8]Calibration Transfer of Deep Learning Models among Multiple Raman Spectrometers via Low-Rank Adaptation.Analytical Chemistry, 2025, 97: 19009-19018.
• [9]MSBERT: Embedding Tandem Mass Spectra into Chemically Rational Space by Mask Learning and Contrastive Learning.Analytical Chemistry, 2024, 96: 16599-16608.
• [10]Accelerating the discovery of acceptor materials for organic solar cells by deep learning.Npj Computational Materials, 2024, 10: 1.
• [11]GCMSFormer: A Fully Automatic Method for the Resolution of Overlapping Peaks in Gas Chromatography–Mass Spectrometry.Analytical Chemistry, 2024, 96: 5878-5886.
• [12]Lewis Acidic Metal–Organic Framework Assisted Ambient Liquid Extraction Mass Spectrometry Imaging for Enhancing the Coverage of Poorly Ionizable Lipids in Brain Tissue.Analytical Chemistry, 2024, 96 (3) : 1073-1083.
• [13]Fusion of Quality Evaluation Metrics and Convolutional Neural Network Representations for ROI Filtering in LC–MS.Analytical Chemistry, 2023
• [14]Ultra-fast and accurate electron ionization mass spectrum matching for compound identification with million-scale in-silico library.Nature Communications, 2023
• [15]A Universal and Accurate Method for Easily Identifying Components in Raman Spectroscopy Based on Deep Learning.Analytical Chemistry, 2023
• [16]Photocatalytic Reactive Liquid Microjunction Surface Sampling-Mass Spectrometry Imaging for Rapid and Selective Localization of Alpha-unsubstituted Amine Metabolites or Drugs in Brain Tissue.Analytical Chemistry, 2022
• [17]Prediction of drug-likeness using graph convolutional attention network.Bioinformatics, 2022
• [18]Porous Graphitic Carbon-Based Imprint Mass Spectrometry Imaging with an Ambient Liquid Extraction Technique for Enhancing Coverage of Glycerolipids and Sphingolipids in Brain Tissue.Analytical Chemistry, 2022
• [19]Prediction of Liquid Chromatographic Retention Time with Graph Neural Network to Assist Small Molecule Identification.Analytical Chemistry, 2021
• [20]Separation of Glycolipids/Sphingolipids from Glycerophospholipids on TiO2 Coating in Aprotic Solvent for Rapid Comprehensive Lipidomic Analysis with Liquid Microjunction Surface SamplingMass Spectrometry.Analytical Chemistry, 2020, 92: 11250-11259.