publications

* Equal contribution. † Co-senior author.

2026

  1. CCN
    A Parametric Guidance Law Model of Hunting in Mice
    D. Pollak, J. Wang, Ha Dong, and 4 more authors
    Aug 2026
    HTML

2025

  1. JCIM
    Advancements in Ligand-Based Virtual Screening through the Synergistic Integration of Graph Neural Networks and Expert-Crafted Descriptors
    Yunchao Liu, Rocco Moretti, Yu Wang, and 5 more authors
    Journal of Chemical Information and Modeling, Aug 2025
    PMID: 40365985
    DOI PDF

2024

  1. NeurIPS
    WelQrate: Defining the Gold Standard in Small Molecule Drug Discovery Benchmarking
    Yunchao Liu*, Ha Dong*, Xin Wang, and 8 more authors
    In Advances in Neural Information Processing Systems, Aug 2024
    DOI PDF Website
  2. The States of Hunting
    Ha Dong, M. Meister, and D. Pollak
    Aug 2024
  3. Advances in Drug Discovery
    Ha Dong, Jens Meiler, and Yunchao Liu
    Aug 2024

2023

  1. Deep Graph Learning Benchmark for Ligand-Based Drug Discovery
    Ha Dong, Jens Meiler, and Yunchao Liu
    Aug 2023