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There is increasing interest in combining information from experimental studies, including randomized and single-group trials, with information from external experimental or observational data sources. Such efforts are usually motivated by…

Methodology · Statistics 2026-04-23 Lawson Ung , Guanbo Wang , Sebastien Haneuse , Miguel A. Hernán , Issa J. Dahabreh

Scientific research follows multi-turn, multi-step workflows that require proactively searching the literature, consulting figures and tables, and integrating evidence across papers to align experimental settings and support reproducible…

Computation and Language · Computer Science 2026-04-08 Xuan Dong , Huanyang Zheng , Tianhao Niu , Zhe Han , Pengzhan Li , Bofei Liu , Zhengyang Liu , Guancheng Li , Qingfu Zhu , Wanxiang Che

Drug discovery (DD) has tremendously contributed to maintaining and improving public health. Hypothesizing that inhibiting protein misfolding can slow disease progression, researchers focus on target identification (Target ID) to find…

Quantitative Methods · Quantitative Biology 2025-01-29 Ziwen Li , Xiang 'Anthony' Chen , Youngseung Jeon

Drug repurposing has historically been an economically infeasible process for identifying novel uses for abandoned drugs. Modern machine learning has enabled the identification of complex biochemical intricacies in candidate drugs; however,…

Machine Learning · Computer Science 2025-09-16 Luke Delzer , Robert Kroleski , Ali K. AlShami , Jugal Kalita

Drug discovery is a complex process that involves sequentially screening and examining a vast array of molecules to identify those with the target properties. This process, also referred to as sequential experimentation, faces challenges…

Artificial Intelligence · Computer Science 2024-05-08 Jinghai He , Cheng Hua , Yingfei Wang , Zeyu Zheng

The safe deployment of large language models (LLMs) in high-stakes fields like biomedicine, requires them to be able to reason about cause and effect. We investigate this ability by testing 13 open-source LLMs on a fundamental task:…

Computation and Language · Computer Science 2026-03-13 Sydney Anuyah , Sneha Shajee-Mohan , Ankit-Singh Chauhan , Sunandan Chakraborty

The drug discovery and development process is a long and expensive one, costing over 1 billion USD on average per drug and taking 10-15 years. To reduce the high levels of attrition throughout the process, there has been a growing interest…

Quantitative Methods · Quantitative Biology 2022-08-22 Cheng Ye , Rowan Swiers , Stephen Bonner , Ian Barrett

Biomedical research papers use significantly different language and jargon when compared to typical English text, which reduces the utility of pre-trained NLP models in this domain. Meanwhile Medline, a database of biomedical abstracts,…

Machine Learning · Computer Science 2021-09-15 Justin Sybrandt , Ilya Safro

Drug repositioning-a promising strategy for discovering new therapeutic uses for existing drugs-has been increasingly explored in the computational science literature using biomedical databases. However, the technological potential of drug…

Artificial Intelligence · Computer Science 2024-07-25 Yongseung Jegal , Jaewoong Choi , Jiho Lee , Ki-Su Park , Seyoung Lee , Janghyeok Yoon

The fields of therapeutic application and drug research and development (R&D) both face substantial challenges, i.e., the therapeutic domain calls for more treatment alternatives, while numerous promising pre-clinical drugs have failed in…

Clinicians and scientists have traditionally focussed on whether their findings will be replicated and are very familiar with the concept. The probability that a replication study yields an effect with the same sign, or the same statistical…

Applications · Statistics 2025-12-17 Huw Llewelyn

The value of research containing novel combinations of molecules can be seen in many innovative and award-winning research programs. Despite calls to use innovative approaches to address common diseases, an increasing majority of research…

Social and Information Networks · Computer Science 2018-07-02 Konstantin Kuzmin , Xiaoyan Lu , Partha Sarathi Mukherjee , Juntao Zhuang , Chris Gaiteri , Boleslaw K Szymanski

Information on the web, such as scientific publications and Wikipedia, often surpasses users' reading level. To help address this, we used a self-refinement approach to develop a LLM capability for minimally lossy text simplification. To…

The race to meet the challenges of the global pandemic has served as a reminder that the existing drug discovery process is expensive, inefficient and slow. There is a major bottleneck screening the vast number of potential small molecules…

Background: Citation analysis has become an important tool for research performance assessment in the medical sciences. However, different areas of medical research may have considerably different citation practices, even within the same…

Digital Libraries · Computer Science 2015-06-11 Nees Jan van Eck , Ludo Waltman , Anthony F. J. van Raan , Robert J. M. Klautz , Wilco C. Peul

This paper proposes a Workflow for Assessing Treatment effeCt Heterogeneity (WATCH) in clinical drug development targeted at clinical trial sponsors. WATCH is designed to address the challenges of investigating treatment effect…

As patients' access to their doctors' clinical notes becomes common, translating professional, clinical jargon to layperson-understandable language is essential to improve patient-clinician communication. Such translation yields better…

Computation and Language · Computer Science 2019-05-28 Wei-Hung Weng , Yu-An Chung , Peter Szolovits

Clinical coding is an administrative process that involves the translation of diagnostic data from episodes of care into a standard code format such as ICD10. It has many critical applications such as billing and aetiology research. The…

Background: Pharmacokinetic evaluation is one of the key processes in drug discovery and development. However, current absorption, distribution, metabolism, excretion prediction models still have limited accuracy. Aim: This study aims to…

Machine Learning · Computer Science 2018-12-27 Zhuyifan Ye , Yilong Yang , Xiaoshan Li , Dongsheng Cao , Defang Ouyang

Clinical trials are fundamental in developing new drugs, medical devices, and treatments. However, they are often time-consuming and have low success rates. Although there have been initial attempts to create large language models (LLMs)…

Computation and Language · Computer Science 2024-07-17 Jiacheng Lin , Hanwen Xu , Zifeng Wang , Sheng Wang , Jimeng Sun