Changge Guan, Fabiano C Fernandes, Octavio L Franco, Cesar de la Fuente-Nunez
{"title":"Leveraging large language models for peptide antibiotic design.","authors":"Changge Guan, Fabiano C Fernandes, Octavio L Franco, Cesar de la Fuente-Nunez","doi":"10.1016/j.xcrp.2024.102359","DOIUrl":null,"url":null,"abstract":"<p><p>Large language models (LLMs) have significantly impacted various domains of our society, including recent applications in complex fields such as biology and chemistry. These models, built on sophisticated neural network architectures and trained on extensive datasets, are powerful tools for designing, optimizing, and generating molecules. This review explores the role of LLMs in discovering and designing antibiotics, focusing on peptide molecules. We highlight advancements in drug design and outline the challenges of applying LLMs in these areas.</p>","PeriodicalId":9703,"journal":{"name":"Cell Reports Physical Science","volume":"6 1","pages":""},"PeriodicalIF":7.9000,"publicationDate":"2025-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11823563/pdf/","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Cell Reports Physical Science","FirstCategoryId":"103","ListUrlMain":"https://doi.org/10.1016/j.xcrp.2024.102359","RegionNum":2,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2024/12/31 0:00:00","PubModel":"Epub","JCR":"Q1","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
Large language models (LLMs) have significantly impacted various domains of our society, including recent applications in complex fields such as biology and chemistry. These models, built on sophisticated neural network architectures and trained on extensive datasets, are powerful tools for designing, optimizing, and generating molecules. This review explores the role of LLMs in discovering and designing antibiotics, focusing on peptide molecules. We highlight advancements in drug design and outline the challenges of applying LLMs in these areas.
期刊介绍:
Cell Reports Physical Science, a premium open-access journal from Cell Press, features high-quality, cutting-edge research spanning the physical sciences. It serves as an open forum fostering collaboration among physical scientists while championing open science principles. Published works must signify significant advancements in fundamental insight or technological applications within fields such as chemistry, physics, materials science, energy science, engineering, and related interdisciplinary studies. In addition to longer articles, the journal considers impactful short-form reports and short reviews covering recent literature in emerging fields. Continually adapting to the evolving open science landscape, the journal reviews its policies to align with community consensus and best practices.