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Drug-drug interaction (DDI) identification is a crucial aspect of pharmacology research. There are many DDI types (hundreds), and they are not evenly distributed with equal chance to occur. Some of the rarely occurred DDI types are often…

Machine Learning · Computer Science 2024-10-17 Liangwei Nathan Zheng , Chang George Dong , Wei Emma Zhang , Xin Chen , Lin Yue , Weitong Chen

The discovery of drug-target interactions (DTIs) is a very promising area of research with great potential. The accurate identification of reliable interactions among drugs and proteins via computational methods, which typically leverage…

Quantitative Methods · Quantitative Biology 2022-12-06 Bin Liu , Dimitrios Papadopoulos , Fragkiskos D. Malliaros , Grigorios Tsoumakas , Apostolos N. Papadopoulos

Accurate prediction of drug-drug interactions (DDI) is crucial for medication safety and effective drug development. However, existing methods often struggle to capture structural information across different scales, from local functional…

Machine Learning · Computer Science 2026-03-27 Zimo Yan , Jie Zhang , Zheng Xie , Yiping Song , Hao Li

Deep convolutional neural networks comprise a subclass of deep neural networks (DNN) with a constrained architecture that leverages the spatial and temporal structure of the domain they model. Convolutional networks achieve the best…

Machine Learning · Computer Science 2015-10-13 Izhar Wallach , Michael Dzamba , Abraham Heifets

Since multidrug combination is widely applied, the accurate prediction of drug-drug interaction (DDI) is becoming more and more critical. In our method, we use graph to represent drug-drug interaction: nodes represent drug; edges represent…

Machine Learning · Computer Science 2022-09-01 Haifan zhou , Wenjing Zhou , Junfeng Wu

Interference between pharmacological substances can cause serious medical injuries. Correctly predicting so-called drug-drug interactions (DDI) does not only reduce these cases but can also result in a reduction of drug development cost.…

Machine Learning · Computer Science 2019-08-06 Md. Rezaul Karim , Michael Cochez , Joao Bosco Jares , Mamtaz Uddin , Oya Beyan , Stefan Decker

Effective feature interaction modeling is critical for enhancing the accuracy of click-through rate (CTR) prediction in industrial recommender systems. Most of the current deep CTR models resort to building complex network architectures to…

Information Retrieval · Computer Science 2026-03-24 Honghao Li , Qiuze Ru , Yiwen Zhang , Yi Zhang , Lei Sang , Yun Yang

Click-through rate (CTR) prediction is an essential task in web applications such as online advertising and recommender systems, whose features are usually in multi-field form. The key of this task is to model feature interactions among…

Information Retrieval · Computer Science 2020-07-27 Zekun Li , Zeyu Cui , Shu Wu , Xiaoyu Zhang , Liang Wang

Consider two sets of entities and their members' mutual affinity values, say drug-target affinities (DTA). Drugs and targets are said to interact in their effects on DTAs if drug's effect on it depends on the target. Presence of interaction…

Machine Learning · Computer Science 2025-10-17 Tapio Pahikkala , Riikka Numminen , Parisa Movahedi , Napsu Karmitsa , Antti Airola

Recent studies suggest that drug-drug interaction (DDI) prediction via computational approaches has significant importance for understanding the functions and co-prescriptions of multiple drugs. However, the existing silico DDI prediction…

Molecular Networks · Quantitative Biology 2024-08-29 Changjian Zhou , Xin Zhang , Jiafeng Li , Jia Song , Wensheng Xiang

The CTR (Click-Through Rate) prediction plays a central role in the domain of computational advertising and recommender systems. There exists several kinds of methods proposed in this field, such as Logistic Regression (LR), Factorization…

Information Retrieval · Computer Science 2020-06-30 Shu Wu , Feng Yu , Xueli Yu , Qiang Liu , Liang Wang , Tieniu Tan , Jie Shao , Fan Huang

Drug-drug interactions (DDIs) are a major concern in clinical practice, as they can lead to reduced therapeutic efficacy or severe adverse effects. Traditional computational approaches often struggle to capture the complex relationships…

Machine Learning · Computer Science 2025-08-27 Hongbo Liu , Siyi Li , Zheng Yu

Motivation: Predicting the drug-target interaction is crucial for drug discovery as well as drug repurposing. Machine learning is commonly used in drug-target affinity (DTA) problem. However, machine learning model faces the cold-start…

Biomolecules · Quantitative Biology 2022-02-03 Tri Minh Nguyen , Thin Nguyen , Truyen Tran

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

In this paper, we consider the Click-Through-Rate (CTR) prediction problem. Factorization Machines and their variants consider pair-wise feature interactions, but normally we won't do high-order feature interactions using FM due to high…

Artificial Intelligence · Computer Science 2021-11-30 Kai Wang , Chunxu Shen , Chaoyun Zhang Wenye Ma

Predicting signed interactions in biological networks is crucial for understanding drug mechanisms and facilitating drug repurposing. While deep graph models have demonstrated success in modeling complex biological systems, existing…

Machine Learning · Computer Science 2025-03-19 Shuyi Jin , Mengji Zhang , Meijie Wang , Lun Yu

The Interaction between Drugs and Targets (DTI) in human body plays a crucial role in biomedical science and applications. As millions of papers come out every year in the biomedical domain, automatically discovering DTI knowledge from…

Computation and Language · Computer Science 2021-09-28 Yutai Hou , Yingce Xia , Lijun Wu , Shufang Xie , Yang Fan , Jinhua Zhu , Wanxiang Che , Tao Qin , Tie-Yan Liu

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

Predicting drug-target binding affinity (DTA) is essential for identifying potential therapeutic candidates in drug discovery. However, most existing models rely heavily on static protein structures, often overlooking the dynamic nature of…

Robotics · Computer Science 2025-05-20 Dan Luo , Jinyu Zhou , Le Xu , Sisi Yuan , Xuan Lin

Deep learning approaches achieved significant progress in predicting protein structures. These methods are often applied to protein-protein interactions (PPIs) yet require Multiple Sequence Alignment (MSA) which is unavailable for various…

Machine Learning · Computer Science 2024-06-27 Matan Halfon , Tomer Cohen , Raanan Fattal , Dina Schneidman-Duhovny