Kernel-Elastic Autoencoder for Molecular Design. - Haote Li; Yu Shee; Brandon Allen; Federica Maschietto; Victor S. Batista (CoRR, 2023)

DirectMultiStep: Direct Route Generation for Multi-Step Retrosynthesis. - Yu Shee; Haote Li; Anton Morgunov; Victor S. Batista (CoRR, 2024)

DirectMultiStep: Direct Route Generation for Multistep Retrosynthesis. - Yu Shee; Anton Morgunov; Haote Li; Victor S. Batista (J. Chem. Inf. Model., 2025)