Publication

  1. [1]Computer-Aided Molecular Design of Ionic Liquids as Advanced Process Media: A Review from Fundamentals to Applications[J].
    Chem Rev. 2023, 124(2): 248-317.
    Song Z, Chen J, Cheng J, et al.
  2. [2] FusNet: unlocking molecular fusion properties through machine learning[J].
    Front. Chem. Sci. Eng., 2025, 19, 81.
    Chen J., Qiu Y., Song Z. et al.
  3. [3]Exploring the chemical space of ionic liquids for CO2 dissolution through generative machine learning models[J].
    Green Chem. Eng., 2025, 6, 335–343
    Chen, X., Song, Z., Qi, Z. et al.
  4. [4]Accurate prediction of performance-related properties of refrigerants with machine learning and new small molecule descriptors[J].
    Comput Chem Eng. 2025, 109264.
    Cao P, Geng Y, Feng N, et al.
  5. [5]Large chemical language models for property prediction and high-throughput screening of ionic liquids[J].
    Digital Discovery. 2025, 4(6): 1505-1517.
    Qiu Y, Song Z, Chen G, et al.
  6. [6]Machine learning boosted eutectic solvent design for CO2 capture with experimental validation[J].
    AIChE J. 2024, DOI:10.1002/aic.18631.
    Liu X, Chen J, Qiu Y, et al.
  7. [7]A critical methodological revisit on group-contribution based property prediction of ionic liquids with machine learning[J].
    Chem Eng Sci. 2024, 298: 120395.
    Cao P, Chen J, Chen G, et al.
  8. [8]Graph transformer based transfer learning for aqueous pKa prediction of organic small molecules[J].
    Chem Eng Sci. 2024, 300: 120559.
    Qiu Y, Chen J, Xie K, et al.
  9. [9]Prediction of Electrical Conductivity of Ionic Liquids: From COSMO-RS Derived QSPR Evaluation to Boosting Machine Learning[J].
    ACS Sustainable Chemistry & Engineering. 2024, 12(17): 6648-6658.
    Chen Z, Chen J, Qiu Y, et al.
  10. [10]Generalizing property prediction of ionic liquids from limited labeled data: a one-stop framework empowered by transfer learning[J].
    Digital Discovery. 2023, 2(3): 591-601.
    Chen G, Song Z, Qi Z, et al.
  11. [11]Bridging Machine Learning and Redlich–Kister Theory for Solid–Liquid Equilibria Prediction of Binary Eutectic Solvent Systems[J].
    Ind Eng Chem Res. 2023, 62(12): 5382-5393.
    Wang R, Chen J, Song Z, et al.
  12. [12]Rational eutectic solvent design by linking regular solution theory with QSAR modelling[J].
    Chem Eng Sci. 2022, 262: 118042.
    Chen J, Zhu F, Qin H, et al.