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Thanks to the increasing availability of genomics and other biomedical data, many machine learning approaches have been proposed for a wide range of therapeutic discovery and development tasks. In this survey, we review the literature on…

Machine Learning · Computer Science 2021-05-05 Kexin Huang , Cao Xiao , Lucas M. Glass , Cathy W. Critchlow , Greg Gibson , Jimeng Sun

Machine learning has huge potential to revolutionize the field of drug discovery and is attracting increasing attention in recent years. However, lacking domain knowledge (e.g., which tasks to work on), standard benchmarks and data…

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

Publicly available data from open sources (e.g., United States Census Bureau (Census), World Health Organization (WHO), Intergovernmental Panel on Climate Change (IPCC)) are vital resources for policy makers, students and researchers across…

The last decade has witnessed a prosperous development of computational methods and dataset curation for AI-aided drug discovery (AIDD). However, real-world pharmaceutical datasets often exhibit highly imbalanced distribution, which is…

Mental health disorders are rising worldwide. However, the availability of trained clinicians has not scaled proportionally, leaving many people without adequate or timely support. To bridge this gap, recent studies have shown the promise…

Computation and Language · Computer Science 2025-08-19 Aishik Mandal , Prottay Kumar Adhikary , Hiba Arnaout , Iryna Gurevych , Tanmoy Chakraborty

With the advancements in computer technology, there is a rapid development of intelligent systems to understand the complex relationships in data to make predictions and classifications. Artificail Intelligence based framework is rapidly…

Machine Learning · Computer Science 2021-07-30 G Jignesh Chowdary , Suganya G , Premalatha M , Asnath Victy Phamila Y , Karunamurthy K

Existing biomedical benchmarks do not provide end-to-end infrastructure for training, evaluation, and inference of models that integrate multimodal biological data and a broad range of machine learning tasks in therapeutics. We present…

Machine Learning · Computer Science 2026-01-23 Alejandro Velez-Arce , Jesus Caraballo , Marinka Zitnik

Traditional Chinese Medicine (TCM) is a natural, safe, and effective therapy that has spread and been applied worldwide. The unique TCM diagnosis and treatment system requires a comprehensive analysis of a patient's symptoms hidden in the…

Computation and Language · Computer Science 2022-08-04 Mucheng Ren , Heyan Huang , Yuxiang Zhou , Qianwen Cao , Yuan Bu , Yang Gao

Background: Identifying new indications for approved drugs is a complex and time-consuming process that requires extensive knowledge of pharmacology, clinical data, and advanced computational methods. Recently, deep learning (DL) methods…

Machine Learning · Computer Science 2025-11-13 Shuting Jin , Yi Jiang , Yimin Liu , Tengfei Ma , Dongsheng Cao , Leyi Wei , Xiangrong Liu , Xiangxiang Zeng

Machine learning is bringing a paradigm shift to healthcare by changing the process of disease diagnosis and prognosis in clinics and hospitals. This development equips doctors and medical staff with tools to evaluate their hypotheses and…

Drug-Drug Interactions (DDIs) significantly influence therapeutic efficacy and patient safety. As experimental discovery is resource-intensive and time-consuming, efficient computational methodologies have become essential. The predominant…

Machine Learning · Computer Science 2026-02-03 Xinmo Jin , Bowen Fan , Xunkai Li , Henan Sun , YuXin Zeng , Zekai Chen , Yuxuan Sun , Jia Li , Qiangqiang Dai , Hongchao Qin , Rong-Hua Li , Guoren Wang

AI scientists are emerging computational systems that serve as collaborative partners in discovery. These systems remain difficult to build because they are bespoke, tied to rigid workflows, and lack shared environments that unify tools,…

Medical time-series data captures the dynamic progression of patient conditions, playing a vital role in modern clinical decision support systems. However, real-world clinical data is highly heterogeneous and inconsistently formatted.…

Machine Learning · Computer Science 2026-04-01 Zhongheng Jiang , Yuechao Zhao , Donglin Xie , Chenxi Sun , Rongchen Lu , Silu Luo , Zisheng Liang , Shenda Hong

The Imaging Data Commons (IDC) is a cloud-based database that provides researchers with open access to cancer imaging data, with the goal of facilitating collaboration. However, cohort discovery within the IDC database has a significant…

Machine Learning · Computer Science 2023-11-28 Pranav Kulkarni , Adway Kanhere , Paul H. Yi , Vishwa S. Parekh

Drug discovery is adapting to novel technologies such as data science, informatics, and artificial intelligence (AI) to accelerate effective treatment development while reducing costs and animal experiments. AI is transforming drug…

Artificial Intelligence · Computer Science 2023-07-14 Catrin Hasselgren , Tudor I. Oprea

For healthcare datasets, it is often not possible to combine data samples from multiple sites due to ethical, privacy or logistical concerns. Federated learning allows for the utilisation of powerful machine learning algorithms without…

Traditional machine learning methods face two main challenges in dealing with healthcare predictive analytics tasks. First, the high-dimensional nature of healthcare data needs labor-intensive and time-consuming processes to select an…

Machine Learning · Computer Science 2022-09-16 Mohammad Amin Morid , Olivia R. Liu Sheng , Joseph Dunbar

The emergence of Large Language Models (LLMs) within the Traditional Chinese Medicine (TCM) domain presents an urgent need to assess their clinical application capabilities. However, such evaluations are challenged by the individualized,…

Computation and Language · Computer Science 2025-12-03 Kunning Li , Jianbin Guo , Zhaoyang Shang , Yiqing Liu , Hongmin Du , Lingling Liu , Yuping Zhao , Lifeng Dong

In recent years, interest has arisen in using machine learning to improve the efficiency of automatic medical consultation and enhance patient experience. In this article, we propose two frameworks to support automatic medical consultation,…

Computation and Language · Computer Science 2022-12-27 Wei Chen , Zhiwei Li , Hongyi Fang , Qianyuan Yao , Cheng Zhong , Jianye Hao , Qi Zhang , Xuanjing Huang , Jiajie Peng , Zhongyu Wei
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