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Large language models (LLMs) are in the ascendancy for research in drug discovery, offering unprecedented opportunities to reshape drug research by accelerating hypothesis generation, optimizing candidate prioritization, and enabling more…

Machine Learning · Computer Science 2026-04-06 Tianyu Liu , Sihan Jiang , Fan Zhang , Kunyang Sun , Teresa Head-Gordon , Hongyu Zhao

Large language models (LLMs) show promise for improving the efficiency of qualitative analysis in large, multi-site health-services research. Yet methodological guidance for LLM integration into qualitative analysis and evidence of their…

Computation and Language · Computer Science 2026-01-22 Sasha Ronaghi , Emma-Louise Aveling , Maria Levis , Rachel Lauren Ross , Emily Alsentzer , Sara Singer

The emergence of natural language processing has revolutionized the way users interact with tabular data, enabling a shift from traditional query languages and manual plotting to more intuitive, language-based interfaces. The rise of large…

Computation and Language · Computer Science 2024-05-21 Weixu Zhang , Yifei Wang , Yuanfeng Song , Victor Junqiu Wei , Yuxing Tian , Yiyan Qi , Jonathan H. Chan , Raymond Chi-Wing Wong , Haiqin Yang

The introduction of large language models (LLMs) has greatly enhanced the capabilities of software agents. Instead of relying on rule-based interactions, agents can now interact in flexible ways akin to humans. However, this flexibility…

Human-Computer Interaction · Computer Science 2026-02-04 Joar Sabel , Mattias Wingren , Andreas Lundell , Sören Andersson , Sara Rosenberg , Susanne Hägglund , Linda Estman , Malin Andtfolk

The integration of Large Language Models (LLMs) into medical applications has sparked widespread interest across the healthcare industry, from drug discovery and development to clinical decision support, assisting telemedicine, medical…

Computation and Language · Computer Science 2024-12-03 Zifeng Wang , Hanyin Wang , Benjamin Danek , Ying Li , Christina Mack , Hoifung Poon , Yajuan Wang , Pranav Rajpurkar , Jimeng Sun

This study applies Large Language Models (LLMs) to two foundational Electronic Health Record (EHR) data science tasks: structured data querying (using programmatic languages, Python/Pandas) and information extraction from unstructured…

Computation and Language · Computer Science 2026-01-29 Juan Jose Rubio Jan , Jack Wu , Julia Ive

Large Language Models (LLMs) are revolutionizing bioinformatics, enabling advanced analysis of DNA, RNA, proteins, and single-cell data. This survey provides a systematic review of recent advancements, focusing on genomic sequence modeling,…

Computation and Language · Computer Science 2026-03-03 Zhenyu Wang , Zikang Wang , Jiyue Jiang , Pengan Chen , Xiangyu Shi , Yu Li

Despite the recent broad adoption of Large Language Models (LLMs) across various domains, their potential for enriching information systems in extracting and exploring Linked Data (LD) and Resource Description Framework (RDF) triplestores…

Information Retrieval · Computer Science 2024-09-25 Omar Mussa , Omer Rana , Benoît Goossens , Pablo Orozco-Terwengel , Charith Perera

Large language models (LLMs) are beginning to reshape how chemists plan and run reactions in organic synthesis. Trained on millions of reported transformations, these text-based models can propose synthetic routes, forecast reaction…

Artificial Intelligence · Computer Science 2025-08-08 Kartar Kumar Lohana Tharwani , Rajesh Kumar , Sumita , Numan Ahmed , Yong Tang

Querying, conversing, and controlling search and information-seeking interfaces using natural language are fast becoming ubiquitous with the rise and adoption of large-language models (LLM). In this position paper, we describe a generic…

Information Retrieval · Computer Science 2023-06-29 Avishek Anand , Venktesh V , Abhijit Anand , Vinay Setty

Large language models (LLMs) have shown their potential in biomedical fields. However, how the public uses them for healthcare purposes such as medical Q\&A, self-diagnosis, and daily healthcare information seeking is under-investigated.…

Computers and Society · Computer Science 2024-09-13 Yunpeng Xiao , Kyrie Zhixuan Zhou , Yueqing Liang , Kai Shu

The paper introduces a framework for the evaluation of the encoding of factual scientific knowledge, designed to streamline the manual evaluation process typically conducted by domain experts. Inferring over and extracting information from…

Computation and Language · Computer Science 2024-10-21 Magdalena Wysocka , Oskar Wysocki , Maxime Delmas , Vincent Mutel , Andre Freitas

Generative Large Language Models (LLMs) hold significant promise in healthcare, demonstrating capabilities such as passing medical licensing exams and providing clinical knowledge. However, their current use as information retrieval tools…

The integration of Large Language Models (LLMs) into interactive systems opens new opportunities for adaptive user experiences, yet it also raises challenges regarding accessibility, explainability, and normative compliance. This paper…

Human-Computer Interaction · Computer Science 2026-01-13 Blessing Jerry , Lourdes Moreno , Virginia Francisco , Raquel Hervas

A Large Language Model (LLM) represents a cutting-edge artificial intelligence model that generates coherent content, including grammatically precise sentences, human-like paragraphs, and syntactically accurate code snippets. LLMs can play…

Software Engineering · Computer Science 2023-12-11 Robson Santos , Italo Santos , Cleyton Magalhaes , Ronnie de Souza Santos

The discovery of novel small molecule drugs remains a critical scientific challenge with far-reaching implications for treating diseases and advancing human health. Traditional drug development--especially for small molecule…

Biomolecules · Quantitative Biology 2025-04-01 Bowen Gao , Yanwen Huang , Yiqiao Liu , Wenxuan Xie , Wei-Ying Ma , Ya-Qin Zhang , Yanyan Lan

A drug molecule is a substance that changes the organism's mental or physical state. Every approved drug has an indication, which refers to the therapeutic use of that drug for treating a particular medical condition. While the Large…

Artificial Intelligence · Computer Science 2024-02-20 David Oniani , Jordan Hilsman , Chengxi Zang , Junmei Wang , Lianjin Cai , Jan Zawala , Yanshan Wang

Natural language processing (NLP) is an area of artificial intelligence that applies information technologies to process the human language, understand it to a certain degree, and use it in various applications. This area has rapidly…

Although Large Language Models (LLMs) demonstrate remarkable ability in processing and generating human-like text, they do have limitations when it comes to comprehending and expressing world knowledge that extends beyond the boundaries of…

Computation and Language · Computer Science 2024-02-20 Fangzhi Xu , Zhiyong Wu , Qiushi Sun , Siyu Ren , Fei Yuan , Shuai Yuan , Qika Lin , Yu Qiao , Jun Liu