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Drug combination therapy has become a increasingly promising method in the treatment of cancer. However, the number of possible drug combinations is so huge that it is hard to screen synergistic drug combinations through wet-lab…

Machine Learning · Computer Science 2021-07-07 J. Wang , X. Liu , S. Shen , L. Deng , H. Liu*

Motivation: Predicting Drug-Target Interaction (DTI) is a well-studied topic in bioinformatics due to its relevance in the fields of proteomics and pharmaceutical research. Although many machine learning methods have been successfully…

Quantitative Methods · Quantitative Biology 2021-07-14 Haiyang Wang , Guangyu Zhou , Siqi Liu , Jyun-Yu Jiang , Wei Wang

In medicine, treatments often influence multiple, interdependent outcomes, such as primary endpoints, complications, adverse events, or other secondary endpoints. Hence, to make optimal treatment decisions, clinicians are interested in…

Machine Learning · Computer Science 2025-06-03 Yuchen Ma , Jonas Schweisthal , Hengrui Zhang , Stefan Feuerriegel

A dynamic treatment regimen (DTR) is a pre-specified sequence of decision rules which maps baseline or time-varying measurements on an individual to a recommended intervention or set of interventions. Sequential multiple assignment…

Methodology · Statistics 2019-10-23 Brook Luers , Min Qian , Inbal Nahum-Shani , Connie Kasari , Daniel Almirall

Pulse-modulated feedback is utilized in drug dosing to mimic sustained over a longer period of time manual discrete dose administration, the latter is in contrast with continuous drug infusion. The intermittent mode of dosing calls for a…

Dynamical Systems · Mathematics 2025-02-28 Alexander Medvedev , Anton V. Proskurnikov , Zhanybai T. Zhusubaliyev

Drug repositioning (DR) refers to identification of novel indications for the approved drugs. The requirement of huge investment of time as well as money and risk of failure in clinical trials have led to surge in interest in drug…

Computation and Language · Computer Science 2017-05-23 Sahil Manchanda , Ashish Anand

We introduce Bi-GNN for modeling biological link prediction tasks such as drug-drug interaction (DDI) and protein-protein interaction (PPI). Taking drug-drug interaction as an example, existing methods using machine learning either only…

Computational Engineering, Finance, and Science · Computer Science 2020-06-26 Yunsheng Bai , Ken Gu , Yizhou Sun , Wei Wang

Differential Diagnosis (DDx) is a fundamental yet complex aspect of clinical decision-making, in which physicians iteratively refine a ranked list of possible diseases based on symptoms, antecedents, and medical knowledge. While recent…

Computation and Language · Computer Science 2025-06-16 Daniel Rose , Chia-Chien Hung , Marco Lepri , Israa Alqassem , Kiril Gashteovski , Carolin Lawrence

Clinical decision-making is inherently complex, often influenced by cognitive biases, incomplete information, and case ambiguity. Large Language Models (LLMs) have shown promise as tools for supporting clinical decision-making, yet their…

Machine Learning · Computer Science 2025-07-10 Burcu Sayin , Ipek Baris Schlicht , Ngoc Vo Hong , Sara Allievi , Jacopo Staiano , Pasquale Minervini , Andrea Passerini

Clinical Decision Support Systems (CDSSs) provide reasoning and inquiry guidance for physicians, yet they face notable challenges, including high maintenance costs and low generalization capability. Recently, Large Language Models (LLMs)…

Computation and Language · Computer Science 2026-04-24 Yue Guo , Fanfu Wang , Jianwei Lv , Xincheng Shi , Yuchen Li , Youya Wang , Yunsheng Zeng , Yujing Liu , Yunhao Qiao , Gen Li , Junfeng Wang , Bo Yuan

The role of Artificial Intelligence (AI) is growing in every stage of drug development. Nevertheless, a major challenge in drug discovery AI remains: Drug pharmacokinetic (PK) and Drug-Target Interaction (DTI) datasets collected in…

Quantitative Methods · Quantitative Biology 2025-10-27 Bing Hu , Jong-Hoon Park , Helen Chen , Young-Rae Cho , Anita Layton

Mobile health systems in recent times, have notably improved the healthcare sector by empowering patients to actively participate in their health, and by facilitating access to healthcare professionals. Effective operation of these mobile…

Artificial Intelligence · Computer Science 2021-10-18 Chinazunwa Uwaoma , Gunjan. Mansingh

One of the most significant barriers to medication treatment is patients' non-adherence to a prescribed medication regimen. The extent of the impact of poor adherence on resulting health measures is often unknown, and typical analyses…

Applications · Statistics 2018-12-04 Luis F. Campos , Mark E. Glickman , Kristen B. Hunter

Estimating dynamic treatment effects is a crucial endeavor in causal inference, particularly when confronted with high-dimensional confounders. Doubly robust (DR) approaches have emerged as promising tools for estimating treatment effects…

Methodology · Statistics 2023-05-17 Jelena Bradic , Weijie Ji , Yuqian Zhang

Accurate prediction of drug-target interactions (DTI) is crucial for drug discovery. Recently, deep learning (DL) models for show promising performance for DTI prediction. However, these models can be difficult to use for both computer…

Machine Learning · Computer Science 2020-12-11 Kexin Huang , Tianfan Fu , Lucas Glass , Marinka Zitnik , Cao Xiao , Jimeng Sun

Clinical decision support systems combine knowledge and data from a variety of sources, represented by quantitative models based on stochastic methods, or qualitative based rather on expert heuristics and deductive reasoning. At the same…

Artificial Intelligence · Computer Science 2020-01-22 Ying Shen , Jacquet-Andrieu Armelle , Joël Colloc

Body Dysmorphic Disorder (BDD) is a highly prevalent and frequently underdiagnosed condition characterized by persistent, intrusive preoccupations with perceived defects in physical appearance. In this extended analysis, we employ multiple…

Machine Learning · Computer Science 2025-03-17 Omar Costilla-Reyes , Morgan Talbot

In this research, we present our work participation for the DrugProt task of BioCreative VII challenge. Drug-target interactions (DTIs) are critical for drug discovery and repurposing, which are often manually extracted from the…

Computation and Language · Computer Science 2021-11-09 Jehad Aldahdooh , Ziaurrehman Tanoli , Jing Tang

In silico prediction of drug-target interactions (DTI) is significant for drug discovery because it can largely reduce timelines and costs in the drug development process. Specifically, deep learning-based DTI approaches have been shown…

Machine Learning · Computer Science 2021-09-20 Yeachan Kim , Bonggun Shin

Drug combination refers to the use of two or more drugs to treat a specific disease at the same time. It is currently the mainstream way to treat complex diseases. Compared with single drugs, drug combinations have better efficacy and can…

Quantitative Methods · Quantitative Biology 2024-10-15 Xinxing Yang , Jiachen Li , Xiao Kang , Guojin Pei , Keyu Liu , Genke Yang , Jian Chu