Natural language processing in drug discovery: bridging the gap between text and therapeutics with artificial intelligence.

IF 6 2区 医学 Q1 PHARMACOLOGY & PHARMACY
Expert Opinion on Drug Discovery Pub Date : 2025-06-01 Epub Date: 2025-04-30 DOI:10.1080/17460441.2025.2490835
Christine Ann Withers, Amina Mardiyyah Rufai, Aravind Venkatesan, Santosh Tirunagari, Sebastian Lobentanzer, Melissa Harrison, Barbara Zdrazil
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引用次数: 0

Abstract

Introduction: The field of Natural Language Processing (NLP) within the life sciences has exploded in its capacity to aid the extraction and analysis of data from scientific texts in recent years through the advancement of Artificial Intelligence (AI). Drug discovery pipelines have been innovated and accelerated by the uptake of AI/Machine Learning (ML) techniques.

Areas covered: The authors provide background on Named Entity Recognition (NER) in text - from tagging terms in text using ontologies to entity identification via ML models. They also explore the use of Knowledge Graphs (KGs) in biological data ingestion, manipulation, and extraction, leading into the modern age of Large Language Models (LLMs) and their ability to maneuver complex and abundant data. The authors also cover the main strengths and weaknesses of the many methods available when undertaking NLP tasks in drug discovery. Literature was derived from searches utilizing Europe PMC, ResearchRabbit and SciSpace.

Expert opinion: The mass of scientific data that is now produced each year is both a huge positive for potential innovation in drug discovery and a new hurdle for researchers to overcome. Notably, methods should be selected to fit a use case and the data available, as each method performs optimally under different conditions.

药物发现中的自然语言处理:用人工智能弥合文本和治疗之间的差距。
引言:近年来,随着人工智能(AI)的进步,生命科学领域的自然语言处理(NLP)在帮助从科学文本中提取和分析数据方面的能力呈爆炸式增长。通过采用人工智能/机器学习(ML)技术,药物发现管道得到了创新和加速。涵盖领域:作者提供了文本中的命名实体识别(NER)的背景知识——从使用本体在文本中标记术语到通过ML模型进行实体识别。他们还探索了知识图(KGs)在生物数据摄取、操作和提取中的使用,从而进入了大型语言模型(LLMs)的现代时代,以及它们处理复杂和丰富数据的能力。作者还涵盖了在药物发现中进行NLP任务时可用的许多方法的主要优点和缺点。文献来源于欧洲PMC、ResearchRabbit和SciSpace的检索。专家意见:现在每年产生的大量科学数据对于药物发现的潜在创新是一个巨大的积极因素,同时也是研究人员需要克服的一个新障碍。值得注意的是,应该选择适合用例和可用数据的方法,因为每种方法在不同的条件下执行最佳。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
CiteScore
10.20
自引率
1.60%
发文量
78
审稿时长
6-12 weeks
期刊介绍: Expert Opinion on Drug Discovery (ISSN 1746-0441 [print], 1746-045X [electronic]) is a MEDLINE-indexed, peer-reviewed, international journal publishing review articles on novel technologies involved in the drug discovery process, leading to new leads and reduced attrition rates. Each article is structured to incorporate the author’s own expert opinion on the scope for future development. The Editors welcome: Reviews covering chemoinformatics; bioinformatics; assay development; novel screening technologies; in vitro/in vivo models; structure-based drug design; systems biology Drug Case Histories examining the steps involved in the preclinical and clinical development of a particular drug The audience consists of scientists and managers in the healthcare and pharmaceutical industry, academic pharmaceutical scientists and other closely related professionals looking to enhance the success of their drug candidates through optimisation at the preclinical level.
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