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Latent representations of drugs and their targets produced by contemporary graph autoencoder-based models have proved useful in predicting many types of node-pair interactions on large networks, including drug-drug, drug-target, and…

Biomolecules · Quantitative Biology 2022-11-01 Nhat Khang Ngo , Truong Son Hy , Risi Kondor

Drug-target interaction is fundamental in understanding how drugs affect biological systems, and accurately predicting drug-target affinity (DTA) is vital for drug discovery. Recently, deep learning methods have emerged as a significant…

Machine Learning · Computer Science 2024-12-30 Minghui Li , Zikang Guo , Yang Wu , Peijin Guo , Yao Shi , Shengshan Hu , Wei Wan , Shengqing Hu

Knowledge graph (KG) is used to represent data in terms of entities and structural relations between the entities. This representation can be used to solve complex problems such as recommendation systems and question answering. In this…

Artificial Intelligence · Computer Science 2022-12-09 Ajay Kumar Gogineni

Learning vector representations (aka. embeddings) of users and items lies at the core of modern recommender systems. Ranging from early matrix factorization to recently emerged deep learning based methods, existing efforts typically obtain…

Information Retrieval · Computer Science 2020-07-06 Xiang Wang , Xiangnan He , Meng Wang , Fuli Feng , Tat-Seng Chua

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

Drug repurposing is more relevant than ever due to drug development's rising costs and the need to respond to emerging diseases quickly. Knowledge graph embedding enables drug repurposing using heterogeneous data sources combined with…

Recommender systems are designed to predict user preferences over collections of items. These systems process users' previous interactions to decide which items should be ranked higher to satisfy their desires. An ensemble recommender…

Information Retrieval · Computer Science 2023-06-23 Alireza Gharahighehi , Celine Vens , Konstantinos Pliakos

Recently, neural models for information retrieval are becoming increasingly popular. They provide effective approaches for product search due to their competitive advantages in semantic matching. However, it is challenging to use…

Information Retrieval · Computer Science 2019-01-25 Yuan Zhang , Dong Wang , Yan Zhang

Predicting drug-target interactions (DTI) via reliable computational methods is an effective and efficient way to mitigate the enormous costs and time of the drug discovery process. Structure-based drug similarities and sequence-based…

Machine Learning · Computer Science 2021-07-12 Bin Liu , Konstantinos Pliakos , Celine Vens , Grigorios Tsoumakas

The identification of drug-target binding affinity (DTA) has attracted increasing attention in the drug discovery process due to the more specific interpretation than binary interaction prediction. Recently, numerous deep learning-based…

Machine Learning · Computer Science 2022-03-23 Zhaoyang Chu , Shichao Liu , Wen Zhang

Examining Drug-Drug Interactions (DDIs) is a pivotal element in the process of drug development. DDIs occur when one drug's properties are affected by the inclusion of other drugs. Detecting favorable DDIs has the potential to pave the way…

Machine Learning · Computer Science 2026-03-20 Azmine Toushik Wasi , Taki Hasan Rafi , Raima Islam , Serbetar Karlo , Dong-Kyu Chae

Drug similarity has been studied to support downstream clinical tasks such as inferring novel properties of drugs (e.g. side effects, indications, interactions) from known properties. The growing availability of new types of drug features…

Machine Learning · Computer Science 2018-05-01 Tengfei Ma , Cao Xiao , Jiayu Zhou , Fei Wang

Social recommender systems have drawn a lot of attention in many online web services, because of the incorporation of social information between users in improving recommendation results. Despite the significant progress made by existing…

Information Retrieval · Computer Science 2023-03-15 Lianghao Xia , Yizhen Shao , Chao Huang , Yong Xu , Huance Xu , Jian Pei

It is a common practice in modern medicine to prescribe multiple medications simultaneously to treat diseases. However, these medications could have adverse reactions between them, known as Drug-Drug Interactions (DDI), which have the…

Machine Learning · Computer Science 2024-12-10 Azwad Tamir , Jiann-Shiun Yuan

The identification of active binding drugs for target proteins (termed as drug-target interaction prediction) is the key challenge in virtual screening, which plays an essential role in drug discovery. Although recent deep learning-based…

Machine Learning · Computer Science 2021-10-18 Siyuan Liu , Yusong Wang , Tong Wang , Yifan Deng , Liang He , Bin Shao , Jian Yin , Nanning Zheng , Tie-Yan Liu

Health monitoring systems have revolutionized modern healthcare by enabling the continuous capture of physiological and behavioral data, essential for preventive measures and early health intervention. While integrating this data with Large…

Machine Learning · Computer Science 2024-06-26 Ajan Subramanian , Zhongqi Yang , Iman Azimi , Amir M. Rahmani

A comprehensive pharmaceutical recommendation system was designed based on the patients and drugs features extracted from Drugs.com and Druglib.com. First, data from these databases were combined, and a dataset of patients and drug…

Social recommendation task aims to predict users' preferences over items with the incorporation of social connections among users, so as to alleviate the sparse issue of collaborative filtering. While many recent efforts show the…

Information Retrieval · Computer Science 2021-10-11 Chao Huang , Huance Xu , Yong Xu , Peng Dai , Lianghao Xia , Mengyin Lu , Liefeng Bo , Hao Xing , Xiaoping Lai , Yanfang Ye

In this study, we intend to solve a mutual information problem in interacting molecules of any type, such as proteins, nucleic acids, and small molecules. Using machine learning techniques, we accurately predict pairwise interactions, which…

Machine Learning · Statistics 2016-01-28 Andrew Schaumberg , Angela Yu , Tatsuhiro Koshi , Xiaochan Zong , Santoshkalyan Rayadhurgam

Effective recommender systems play a crucial role in accurately capturing user and item attributes that mirror individual preferences. Some existing recommendation techniques have started to shift their focus towards modeling various types…

Information Retrieval · Computer Science 2025-06-26 Xiang Li , Chaofan Fu , Zhongying Zhao , Guanjie Zheng , Chao Huang , Yanwei Yu , Junyu Dong