Tango*: Constrained synthesis planning using chemically informed value functions. - Daniel P. Armstrong; Zlatko Joncev; Jeff Guo; Philippe Schwaller (CoRR, 2024)

Chemical reasoning in LLMs unlocks steerable synthesis planning and reaction mechanism elucidation. - Andres M. Bran; Theo A Neukomm; Daniel P. Armstrong; Zlatko Joncev; Philippe Schwaller (CoRR, 2025)

Generative Molecular Design with Steerable and Granular Synthesizability Control. - Jeff Guo; Victor Sabanza Gil; Zlatko Joncev; Jeremy S. Luterbacher; Philippe Schwaller (CoRR, 2025)

TempRe: Template generation for single and direct multi-step retrosynthesis. - Nguyen Xuan-Vu; Daniel P. Armstrong; Zlatko Joncev; Philippe Schwaller (CoRR, 2025)