Publications

Publications in AI4Chem, organic chemistry, and machine learning.

2026

  1. 04
    Synthetic Applicability Domain (SynAD): Navigating Chemical Space for Reliable AI-Driven Reaction Prediction
    Zhenzhi Tan, Q. Yang, L. Zhang, and 1 more author
    Angewandte Chemie International Edition, 2026

2025

  1. 02
    Heuristic Data-Driven Approach for Synergistic Cobalt(IV)-Enamine Catalysis
    L. Cheng, Zhenzhi Tan, Z. Jia, and 3 more authors
    Nature Synthesis, 2025
  2. 03
    AI Molecular Catalysis: Where Are We Now?
    Zhenzhi Tan, Q. Yang, and Sanzhong Luo
    Organic Chemistry Frontiers, 2025

2023

  1. 01
    Automatically Predicting Material Properties with Microscopic Images: Polymer Miscibility as an Example
    Z. Liang, Zhenzhi Tan, R. Hong, and 3 more authors
    Journal of Chemical Information and Modeling, 2023