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Merge pull request #151 from bznan/patch-4
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video and LinkedIn updated typo corrected
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sgbaird authored Apr 8, 2024
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title: Optimizing Chemical Reaction Conditions with Multi-Agent Systems Using Large Language Models and Bayesian Optimization
topic: general
team_leads:
- Bozhao Nan (University of Notre Dame)
- Taicheng Guo (University of Notre Dame)
- Bozhao Nan (University of Notre Dame) @bznan
- Taicheng Guo (University of Notre Dame) @taichengguo

# Comment these lines by prepending the pound symbol (#) to each line to hide these elements
contributors:
- Kehan Guo (University of Notre Dame)
- Yanqiao Zhu (UCLA)
- Kehan Guo (University of Notre Dame) @KehanGuo2
- Yanqiao Zhu (UCLA) @SXKDZ

# github: AC-BO-Hackathon/project-reation_BO_agents
# youtube_video: <your-video-id>
github: AC-BO-Hackathon/project-reaction_BO_agents
youtube_video: xf6rfyUQeZQ

---

This project is focused on enhancing the efficiency of the Suzuki reaction process through an advanced multi-agent system, incorporating large language models (LLMs) and Bayesian Optimization (BO). The innovation lies in the employment of specialized sub-agents, each with expertise in a crucial domain of the reaction: catalyst design, solvent effects, and base selection. These agents work in concert with a supervisory agent, which integrates their insights and findings. This collaborative framework aims to optimize reaction conditions iteratively, leveraging both prior knowledge and experimental data to navigate the chemical space effectively.

Check out [our submission post on X](https://x.com/Bozhao95501764/status/1777029207857451508)!

References:
1. Perera, Damith, et al. "A platform for automated nanomole-scale reaction screening and micromole-scale synthesis in flow." Science 359.6374 (2018): 429-434.
2. Guo, Taicheng, et al. "Large language model based multi-agents: A survey of progress and challenges." arXiv preprint arXiv:2402.01680 (2024).
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