Papers by Frazier N. Baker
Tooling or Not Tooling? The Impact of Tools on Language Agents for Chemistry Problem Solving (2025.findings-naacl)
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Botao Yu, Frazier N. Baker, Ziru Chen, Garrett Herb, Boyu Gou, Daniel Adu-Ampratwum, Xia Ning, Huan Sun
| Challenge: | Existing evaluations of large language models (LLMs) with tools are limited and qualitative . existing evaluations have been limited and only focus on 14 tasks focusing on compound synthesis. |
| Approach: | They propose to develop an enhanced chemistry agent over ChemCrow to improve chemistry problem solving by integrating tools into LLMs. |
| Outcome: | The proposed agent does not consistently outperform its base LLMs without tools on specialized chemistry tasks and general chemistry questions. |
LIDDIA: Language-based Intelligent Drug Discovery Agent (2025.emnlp-main)
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| Challenge: | Recent advances in artificial intelligence for chemistry have sought to expedite individual drug discovery tasks. |
| Approach: | They propose an autonomous agent capable of intelligently navigating the drug discovery process in silico. |
| Outcome: | The proposed agent can generate molecules meeting key pharmaceutical criteria on over 70% of 30 clinically relevant targets and intelligently balances exploration and exploitation in the chemical space. |