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Preventable adverse drug reactions as a result of medical errors present a growing concern in modern medicine. As drug-drug interactions (DDIs) may cause adverse reactions, being able to extracting DDIs from drug labels into…

Computation and Language · Computer Science 2019-05-21 Tung Tran , Ramakanth Kavuluru , Halil Kilicoglu

Medication recommendation is an essential task of AI for healthcare. Existing works focused on recommending drug combinations for patients with complex health conditions solely based on their electronic health records. Thus, they have the…

Machine Learning · Computer Science 2022-07-20 Chaoqi Yang , Cao Xiao , Fenglong Ma , Lucas Glass , Jimeng Sun

Predicting and discovering drug-drug interactions (DDIs) using machine learning has been studied extensively. However, most of the approaches have focused on text data or textual representation of the drug structures. We present the first…

Machine Learning · Computer Science 2021-03-22 Devendra Singh Dhami , Siwen Yan , Gautam Kunapuli , David Page , Sriraam Natarajan

Accurately predicting drug-drug interactions (DDIs) is crucial for pharmaceutical research and clinical safety. Recent deep learning models often suffer from high computational costs and limited generalization across datasets. In this…

Biomolecules · Quantitative Biology 2025-04-01 Manel Gil-Sorribes , Alexis Molina

Accurate prediction of drug-target interactions (DTI) is critical for drug discovery. Existing methods often rely on single-modal representations (e.g., sequences or graphs) or combine only two modalities, overlooking 3D structural…

Machine Learning · Computer Science 2026-05-29 Le Xu , Xi Zhang , Dan Luo , Ting Wang , Xuan Lin

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…

Machine Learning · Statistics 2015-05-19 Artemy Kolchinsky , Anália Lourenço , Heng-Yi Wu , Lang Li , Luis M. Rocha

Drug membrane interaction is a very significant bioprocess to consider in drug discovery. Here, we propose a novel deep learning framework coined DMInet to study drug-membrane interactions that leverages large-scale Martini coarse-grained…

Biological Physics · Physics 2022-04-07 Guang Chen

The improvement of medical care quality is a significant interest for the future years. The fight against nosocomial infections (NI) in the intensive care units (ICU) is a good example. We will focus on a set of observations which reflect…

Artificial Intelligence · Computer Science 2012-11-12 Hela Ltifi , Ghada Trabelsi , Mounir Ben Ayed , Adel M. Alimi

Accurate prediction of drug-target interactions (DTI) is pivotal for drug discovery, yet existing methods often fail to address challenges like cross-domain generalization, cold-start prediction, and interpretability. In this work, we…

Multimedia · Computer Science 2025-10-23 Xiangyu Li , Haojie Yang , Kaimiao Hu , Runzhi Wu , Liangliang Liu , Ran Su

Predicting drug-drug interactions (DDI) is the problem of predicting side effects (unwanted outcomes) of a pair of drugs using drug information and known side effects of many pairs. This problem can be formulated as predicting labels (i.e.…

Machine Learning · Computer Science 2023-04-05 Duc Anh Nguyen , Canh Hao Nguyen , Hiroshi Mamitsuka

Over the years several studies have demonstrated the ability to identify potential drug-drug interactions via data mining from the literature (MEDLINE), electronic health records, public databases (Drugbank), etc. While each one of these…

Computers and Society · Computer Science 2015-07-21 Juan M. Banda , Tobias Kuhn , Nigam H. Shah , Michel Dumontier

Traditional drug discovery processes are both time-consuming and require extensive professional expertise. With the accumulation of drug-target interaction (DTI) data from experimental studies, leveraging modern machine-learning techniques…

Quantitative Methods · Quantitative Biology 2024-12-12 Shuqi Li , Shufang Xie , Hongda Sun , Yuhan Chen , Tao Qin , Tianjun Ke , Rui Yan

Drug-drug interaction (DDI) prediction is central to drug discovery and clinical development, particularly in the context of increasingly prevalent polypharmacy. Although existing computational methods achieve strong performance on standard…

Machine Learning · Computer Science 2026-01-23 Dong Xu , Jiantao Wu , Qihua Pan , Sisi Yuan , Zexuan Zhu , Junkai Ji

Accurate prediction of drug-target interactions (DTI) is pivotal in drug discovery. However, existing approaches often fail to capture deep intra-modal feature interactions or achieve effective cross-modal alignment, limiting predictive…

Multimedia · Computer Science 2025-10-22 Xiangyu Li , Ran Su , Liangliang Liu

Medication recommendation is a crucial task for intelligent healthcare systems. Previous studies mainly recommend medications with electronic health records (EHRs). However, some details of interactions between doctors and patients may be…

Computation and Language · Computer Science 2022-09-16 Zhenfeng He , Yuqiang Han , Zhenqiu Ouyang , Wei Gao , Hongxu Chen , Guandong Xu , Jian Wu

Background. Drug-drug interaction (DDI) is a major cause of morbidity and mortality. [...] Biomedical literature mining can aid DDI research by extracting relevant DDI signals from either the published literature or large clinical…

Machine Learning · Statistics 2013-03-05 Artemy Kolchinsky , Anália Lourenço , Lang Li , Luis M. Rocha

Early detection of skin cancers like melanoma is crucial to ensure high chances of survival for patients. Clinical application of Deep Learning (DL)-based Decision Support Systems (DSS) for skin cancer screening has the potential to improve…

Computer Vision and Pattern Recognition · Computer Science 2021-03-10 Adriano Lucieri , Andreas Dengel , Sheraz Ahmed

Medication recommendation is a fundamental yet crucial branch of healthcare that presents opportunities to assist physicians in making more accurate medication prescriptions for patients with complex health conditions. Previous studies have…

Artificial Intelligence · Computer Science 2024-05-09 Sicen Liu , Xiaolong Wang , Xianbing Zhao , Hao Chen

Clinical decision support systems have been developed to help physicians to take clinical guidelines into account during consultations. The ASTI critiquing module is one such systems; it provides the physician with automatic criticisms when…

Identifying and discovering drug-target interactions(DTIs) are vital steps in drug discovery and development. They play a crucial role in assisting scientists in finding new drugs and accelerating the drug development process. Recently,…

Quantitative Methods · Quantitative Biology 2023-11-15 Wenting Ye , Chen Li , Yang Xie , Wen Zhang , Hong-Yu Zhang , Bowen Wang , Debo Cheng , Zaiwen Feng