3 papers
cs.AI2025
LARC: Towards Human-level Constrained Retrosynthesis Planning through an Agentic Framework
Frazier N. Baker, Daniel Adu-Ampratwum, Reza Averly +3
Large language model (LLM) agent evaluators leverage specialized tools to ground the rational decision-making of LLMs, making them well-suited to aid in scientific discoveries, suc…
cs.CL2025
LIDDIA: Language-based Intelligent Drug Discovery Agent
Reza Averly, Frazier N. Baker, Ian A. Watson +1
Drug discovery is a long, expensive, and complex process, relying heavily on human medicinal chemists, who can spend years searching the vast space of potential therapies. Recent a…
cs.AI2024
ChemToolAgent: The Impact of Tools on Language Agents for Chemistry Problem Solving
Botao Yu, Frazier N. Baker, Ziru Chen +5
To enhance large language models (LLMs) for chemistry problem solving, several LLM-based agents augmented with tools have been proposed, such as ChemCrow and Coscientist. However,…