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Natural language processing (NLP) research combines the study of universal principles, through basic science, with applied science targeting specific use cases and settings. However, the process of exchange between basic NLP and…

Computation and Language · Computer Science 2021-04-19 Denis Newman-Griffis , Jill Fain Lehman , Carolyn Rosé , Harry Hochheiser

Drug similarity has been studied to support downstream clinical tasks such as inferring novel properties of drugs (e.g. side effects, indications, interactions) from known properties. The growing availability of new types of drug features…

Machine Learning · Computer Science 2018-05-01 Tengfei Ma , Cao Xiao , Jiayu Zhou , Fei Wang

Over the last four decades, the way knowledge is created in academia has transformed dramatically: research teams have grown larger, scholars draw from ever-wider pools of prior work, and the most influential discoveries increasingly emerge…

Digital Libraries · Computer Science 2025-11-27 Sarah J. James , Marcus A. Rodriguez , David P. Miller

Translational medicine turns underspecified development goals into evidence synthesis that must combine literature, trials, patents, and quantitative multi-omics analysis while preserving identifiers, uncertainty, and retrievable…

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

Artificial intelligence has demonstrated immense potential in scientific research. Within molecular science, it is revolutionizing the traditional computer-aided paradigm, ushering in a new era of deep learning. With recent progress in…

Biomolecules · Quantitative Biology 2024-03-22 Yi Xiao , Xiangxin Zhou , Qiang Liu , Liang Wang

Many multi-genic systemic diseases such as neurological disorders, inflammatory diseases, and the majority of cancers do not have effective treatments yet. Reinforcement learning powered systems pharmacology is a potentially effective…

Biomolecules · Quantitative Biology 2022-02-25 Ryan K. Tan , Yang Liu , Lei Xie

Due to their excellent drug-like and pharmacokinetic properties, small molecule drugs are widely used to treat various diseases, making them a critical component of drug discovery. In recent years, with the rapid development of deep…

Machine Learning · Computer Science 2025-05-15 Kun Li , Yida Xiong , Hongzhi Zhang , Xiantao Cai , Jia Wu , Bo Du , Wenbin Hu

Numerous challenges persist that delay clinical interpretation of human genetic variants, to name a few: (1) un- structured PubMed articles are the most abundant source of evidence, yet their variant annotations are difficult to query…

Information Retrieval · Computer Science 2016-02-10 Andrew J. McMurry

Generalizability and transportability methods have been proposed to address the external validity bias of randomized clinical trials that results from differences in the distribution of treatment effect modifiers between trial and target…

The multidimensional character and inherent conflict with categorisation of interdisciplinarity makes its mapping and evaluation a challenging task. We propose a conceptual framework that aims to capture interdisciplinarity in the wider…

Physics and Society · Physics 2009-01-13 Ismael Rafols , Martin Meyer

Artificial intelligence (AI) agents are emerging as transformative tools in drug discovery, with the ability to autonomously reason, act, and learn through complicated research workflows. Building on large language models (LLMs) coupled…

Discovering new medicines is the hallmark of human endeavor to live a better and longer life. Yet the pace of discovery has slowed down as we need to venture into more wildly unexplored biomedical space to find one that matches today's high…

Artificial Intelligence · Computer Science 2022-02-16 Tri Minh Nguyen , Thin Nguyen , Truyen Tran

Drug development is an expensive and time-consuming process where thousands of chemical compounds are being tested in order to find those possessing drug-like properties while being safe and effective. One of key parts of the early drug…

Quantitative Methods · Quantitative Biology 2022-02-15 Josip Mesarić

Drug target identification is of significant commercial interest to pharmaceutical companies, and there is a vast amount of research done related to the topic of therapeutic target identification. Interdisciplinary research in this area…

Molecular Networks · Quantitative Biology 2013-07-30 Reka Albert , Bhaskar DasGupta , Nasim Mobasheri

Artificial intelligence has provided us with an exploration of a whole new research era. As more data and better computational power become available, the approach is being implemented in various fields. The demand for it in health…

Machine Learning · Computer Science 2020-08-11 Gloria Hyunjung Kwak , Pan Hui

A person's gender is a crucial piece of information when performing research across a wide range of scientific disciplines, such as medicine, sociology, political science, and economics, to name a few. However, in increasing instances,…

Computation and Language · Computer Science 2023-08-25 Kriste Krstovski , Yao Lu , Ye Xu

Molecular dynamics (MD) simulations and computer-aided drug design (CADD) have advanced substantially over the past two decades, thanks to continuous computer hardware and software improvements. Given these advancements, MD simulations are…

Quantitative Methods · Quantitative Biology 2023-11-29 Mayar Ahmed , Alex M. Maldonado , Jacob D. Durrant

Research on links between transport and land-use is by essence interdisciplinary, as a result of the multi-dimensionality and complexity of these objects. In the case of models simulating interactions between transport and land-use, the…

Digital Libraries · Computer Science 2021-03-01 Juste Raimbault

Though accepted that "team science" is needed to tackle and conquer the health problems that are plaguing our society significant empirical evidence of team mechanisms and functional dynamics is still lacking in abundance. Through grounded…

Computers and Society · Computer Science 2013-08-07 Gaetano R. Lotrecchiano