Orestis A. Ntintas, Theodoros Daglis, Vassilis G. Gorgoulis
{"title":"Harnessing deep learning to build optimized ligands","authors":"Orestis A. Ntintas, Theodoros Daglis, Vassilis G. Gorgoulis","doi":"10.1038/s43588-024-00725-1","DOIUrl":null,"url":null,"abstract":"A recent study proposes DeepBlock, a deep learning-based approach for generating ligands with targeted properties, such as low toxicity and high affinity with the given target. This approach outperforms existing methods in the field while maintaining synthetic accessibility and drug-likeness.","PeriodicalId":74246,"journal":{"name":"Nature computational science","volume":"4 11","pages":"809-810"},"PeriodicalIF":12.0000,"publicationDate":"2024-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Nature computational science","FirstCategoryId":"1085","ListUrlMain":"https://www.nature.com/articles/s43588-024-00725-1","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS","Score":null,"Total":0}
引用次数: 0
Abstract
A recent study proposes DeepBlock, a deep learning-based approach for generating ligands with targeted properties, such as low toxicity and high affinity with the given target. This approach outperforms existing methods in the field while maintaining synthetic accessibility and drug-likeness.
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