New paper: A Review of Large Language Models and Autonomous Agents in Chemistry

[maykcaldas]

Paper: A Review of Large Language Models and Autonomous Agents in Chemistry

Authors: Mayk Caldas Ramos, Christopher J. Collison, Andrew D. White

Abstract: Large language models (LLMs) are emerging as a powerful tool in chemistryacross multiple domains. In chemistry, LLMs are able to accurately predictproperties, design new molecules, optimize synthesis pathways, and acceleratedrug and material discovery. A core emerging idea is combining LLMs withchemistry-specific tools like synthesis planners and databases, leading toso-called "agents." This review covers LLMs' recent history, currentcapabilities, design, challenges specific to chemistry, and future directions.Particular attention is given to agents and their emergence as across-chemistry paradigm. Agents have proven effective in diverse domains ofchemistry, but challenges remain. It is unclear if creating domain-specificversus generalist agents and developing autonomous pipelines versus "co-pilot"systems will accelerate chemistry. An emerging direction is the development ofmulti-agent systems using a human-in-the-loop approach. Due to the incrediblyfast development of this field, a repository has been built to keep track ofthe latest studies: https://github.com/ur-whitelab/LLMs-in-science.

Link: https://arxiv.org/abs/2407.01603

Reasoning: Reasoning: Let's think step by step in order to determine if the paper is about a language model. We start by examining the title, which mentions "Large Language Models" (LLMs) and their application in chemistry. Next, we look at the abstract, which discusses the use of LLMs in predicting properties, designing molecules, optimizing synthesis pathways, and accelerating drug and material discovery. The abstract also mentions the combination of LLMs with chemistry-specific tools to create "agents." Given that the paper focuses on the capabilities, design, and challenges of LLMs in the field of chemistry, it is clear that the paper is centered around language models.

[kjappelbaum]

that is very meta :D an agent for agent reviews finding the review about agents

[maykcaldas]

Not gonna lie: I was pretty happy when I saw this issue being created hahaha