3 stories tagged Chemistry
Researchers created a test to evaluate how well AI agents can use scientific software for chemistry simulations. The benchmark, PHREEQC-MCQ-200, challenges AI to solve 200 multiple-choice questions using a geochemistry tool called PHREEQC.
OpenAI and Molecule.one demonstrated a near-autonomous AI chemist using GPT-5.4 that optimized a key reaction in medicinal chemistry. This breakthrough could accelerate drug development by autonomously planning, executing, and analyzing experiments.
MMORF is a framework for designing multi-objective retrosynthesis planning systems. It leverages language model-based multi-agent systems to balance quality, safety, and cost objectives.