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Drug-drug interaction prediction is a crucial issue in molecular biology. Traditional methods of observing drug-drug interactions through medical experiments require significant resources and labor. This paper presents a medical knowledge…

计算与语言 · 计算机科学 2024-07-29 Peng Gao , Feng Gao , Jian-Cheng Ni , Yu Wang , Fei Wang

Accurate prediction of drug target interactions is critical for accelerating drug discovery and elucidating complex biological mechanisms. In this work, we frame drug target prediction as a link prediction task on heterogeneous biomedical…

计算与语言 · 计算机科学 2025-03-12 Haji Gul , Abdul Ghani Naim , Ajaz Ahmad Bhat

Drug-drug interaction (DDI) is a major cause of morbidity and mortality and a subject of intense scientific interest. Biomedical literature mining can aid DDI research by extracting evidence for large numbers of potential interactions from…

机器学习 · 统计学 2015-05-19 Artemy Kolchinsky , Anália Lourenço , Heng-Yi Wu , Lang Li , Luis M. Rocha

Accurately predicting drug-drug interactions (DDI) for emerging drugs, which offer possibilities for treating and alleviating diseases, with computational methods can improve patient care and contribute to efficient drug development.…

定量方法 · 定量生物学 2023-11-17 Yongqi Zhang , Quanming Yao , Ling Yue , Xian Wu , Ziheng Zhang , Zhenxi Lin , Yefeng Zheng

Drug resistance is still a major challenge in cancer therapy. Drug combination is expected to overcome drug resistance. However, the number of possible drug combinations is enormous, and thus it is infeasible to experimentally screen all…

基因组学 · 定量生物学 2018-11-20 Tianyu Zhang , Liwei Zhang , Philip R. O. Payne , Fuhai Li

Preliminary detection of mild depression could immensely help in effective treatment of the common mental health disorder. Due to the lack of proper awareness and the ample mix of stigmas and misconceptions present within the society,…

Skin cancer is a serious and potentially fatal disease caused by DNA damage. Early detection significantly increases survival rates, making accurate diagnosis crucial. In this groundbreaking study, we present a hybrid framework based on…

图像与视频处理 · 电气工程与系统科学 2025-03-26 Maksuda Akter , Rabea Khatun , Md. Alamin Talukder , Md. Manowarul Islam , Md. Ashraf Uddin

The prediction modeling of drug-target interactions is crucial to drug discovery and design, which has seen rapid advancements owing to deep learning technologies. Recently developed methods, such as those based on graph neural networks…

定量方法 · 定量生物学 2025-11-19 Xinnan Zhang , Jialin Wu , Junyi Xie , Tianlong Chen , Kaixiong Zhou

Adverse drug interactions are largely preventable causes of medical accidents, which frequently result in physician and emergency room encounters. The detection of drug interactions in a lab, prior to a drug's use in medical practice, is…

机器学习 · 计算机科学 2023-02-08 Bar Vered , Guy Shtar , Lior Rokach , Bracha Shapira

Advanced machine learning algorithms are increasingly utilized to provide data-based prediction and decision-making support in Industry 4.0. However, the prediction accuracy achieved by the existing models is insufficient to warrant…

机器学习 · 计算机科学 2024-03-06 Zhipeng Ma , Bo Nørregaard Jørgensen , Zheng Grace Ma

Early diagnosis of disease can lead to improved health outcomes, including higher survival rates and lower treatment costs. With the massive amount of information available in electronic health records (EHRs), there is great potential to…

机器学习 · 计算机科学 2022-08-02 Asem Alaa , Erik Mayer , Mauricio Barahona

Diabetic retinopathy (DR) is a leading cause of blindness worldwide, necessitating early detection to prevent vision loss. Current automated DR detection systems often struggle with poor-quality images, lack interpretability, and…

图像与视频处理 · 电气工程与系统科学 2025-09-03 Idowu Paul Okuwobi , Jingyuan Liu , Jifeng Wan , Jiaojiao Jiang

Mathematical models are crucial for optimizing and controlling chemical processes, yet they often face significant limitations in terms of computational time, algorithm complexity, and development costs. Hybrid models, which combine…

Multimodal deep learning (MDL) has emerged as a transformative approach in computational pathology. By integrating complementary information from multiple data sources, MDL models have demonstrated superior predictive performance across…

定量方法 · 定量生物学 2025-11-17 Seth Alain Chang , Muhammad Mueez Amjad , Noorul Wahab , Ethar Alzaid , Nasir Rajpoot , Adam Shephard

In-silico prediction of repurposable drugs is an effective drug discovery strategy that supplements de-nevo drug discovery from scratch. Reduced development time, less cost and absence of severe side effects are significant advantages of…

机器学习 · 计算机科学 2021-02-23 Sk Mazharul Islam , Sk Md Mosaddek Hossain , Sumanta Ray

Molecular interaction prediction plays a crucial role in forecasting unknown interactions between molecules, such as drug-target interaction (DTI) and drug-drug interaction (DDI), which are essential in the field of drug discovery and…

The necessity of predictive models in the drug discovery industry cannot be understated. With the sheer volume of potentially useful compounds that are considered for use, it is becoming increasingly computationally difficult to investigate…

定量方法 · 定量生物学 2020-05-22 Alun Stokes , William Hum , Jonathan Zaslavsky

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…

定量方法 · 定量生物学 2025-10-27 Bing Hu , Jong-Hoon Park , Helen Chen , Young-Rae Cho , Anita Layton

Simultaneous administration of multiple drugs can have synergistic or antagonistic effects as one drug can affect activities of other drugs. Synergistic effects lead to improved therapeutic outcomes, whereas, antagonistic effects can be…

计算与语言 · 计算机科学 2017-08-15 Sunil Kumar Sahu , Ashish Anand

Drug-drug interactions are preventable causes of medical injuries and often result in doctor and emergency room visits. Computational techniques can be used to predict potential drug-drug interactions. We approach the drug-drug interaction…

机器学习 · 计算机科学 2019-08-06 Guy Shtar , Lior Rokach , Bracha Shapira