activity
20182026
most citedState-of-the-Art Augmented NLP Transformer models for direct and single-step retrosynthesis

350 citations · 714 across the 9 of their papers we have counts for

collaborators
Showing 2026Show all

1 paper · 1 filter

cs.AI2026

SEISMO: Explanation-Aware, Trajectory-Conditioned LLM Agents for Sample-Efficient Molecular Optimisation

Fabian P. Krüger, Andrea Hunklinger, Adrian Wolny +3

Optimizing molecules to achieve desired properties is a central bottleneck across the chemical sciences, particularly in the pharmaceutical industry, where it underlies the discove…