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Background: Discovering potential drug-drug interactions (DDIs) is a long-standing challenge in clinical treatments and drug developments. Recently, deep learning techniques have been developed for DDI prediction. However, they generally…

Machine Learning · Computer Science 2024-03-20 Yaqing Wang , Zaifei Yang , Quanming Yao

Accurately predicting drug-target binding affinity (DTA) in silico is a key task in drug discovery. Most of the conventional DTA prediction methods are simulation-based, which rely heavily on domain knowledge or the assumption of having the…

Machine Learning · Computer Science 2020-04-06 Xuan Lin

In recent years, inductive graph embedding models, \emph{viz.}, graph neural networks (GNNs) have become increasingly accurate at link prediction (LP) in online social networks. The performance of such networks depends strongly on the input…

Machine Learning · Computer Science 2021-08-24 Chitrank Gupta , Yash Jain , Abir De , Soumen Chakrabarti

Accumulated clinical studies show that microbes living in humans interact closely with human hosts, and get involved in modulating drug efficacy and drug toxicity. Microbes have become novel targets for the development of antibacterial…

Quantitative Methods · Quantitative Biology 2021-08-16 Lei Deng , Yibiao Huang , Xuejun Liu , Hui Liu

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

Machine Learning · Computer Science 2023-02-20 Nhat Khang Ngo , Truong Son Hy , Risi Kondor

We propose a representation learning framework for medical diagnosis domain. It is based on heterogeneous network-based model of diagnostic data as well as modified metapath2vec algorithm for learning latent node representation. We compare…

Machine Learning · Computer Science 2020-01-24 Karol Antczak

The graph neural network (GNN) has been a powerful deep-learning tool in chemistry domain, due to its close connection with molecular graphs. Most GNN models collect and update atom and molecule features from the fed atom (and, in some…

Chemical Physics · Physics 2022-03-18 Yeji Kim , Yoonho Jeong , Jihoo Kim , Eok Kyun Lee , Won June Kim , Insung S. Choi

Traditional Chinese Medicine (TCM) has accumulated a big amount of precious resource in the long history of development. TCM prescriptions that consist of TCM herbs are an important form of TCM treatment, which are similar to natural…

Computation and Language · Computer Science 2017-11-07 Wei Li , Zheng Yang

learning algorithms. In this paper, we review the classification algorithms used in the health care system (chronic diseases) and present the neural network-based Ensemble learning method. We briefly describe the commonly used algorithms…

Machine Learning · Computer Science 2021-03-16 Jafar Abdollahi , Babak Nouri-Moghaddam , Mehdi Ghazanfari

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

Traditional biomedical version of embeddings obtained from pre-trained language models have recently shown state-of-the-art results for relation extraction (RE) tasks in the medical domain. In this paper, we explore how to incorporate…

Computation and Language · Computer Science 2020-12-23 Ishani Mondal

Accurately predicting drug-target interactions (DTIs) is pivotal for advancing drug discovery and target validation techniques. While machine learning approaches including those that are based on Graph Neural Networks (GNN) have achieved…

Machine Learning · Computer Science 2025-09-30 Yuehua Song , Yong Gao

In this work we present a deep learning approach to conduct hypothesis-free, transcriptomics-based matching of drugs for diseases. Our proposed neural network architecture is trained on approved drug-disease indications, taking as input the…

Genomics · Quantitative Biology 2023-03-22 Yannis Papanikolaou , Francesco Tuveri , Misa Ogura , Daniel O'Donovan

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

The ability to recognize various food-items in a generic food plate is a key determinant for an automated diet assessment system. This study motivates the need for automated diet assessment and proposes a framework to achieve this. Within…

Computer Vision and Pattern Recognition · Computer Science 2022-10-26 Rameez Ismail , Zhaorui Yuan

Multi-modal neuroimaging technology has greatlly facilitated the efficiency and diagnosis accuracy, which provides complementary information in discovering objective disease biomarkers. Conventional deep learning methods, e.g. convolutional…

Image and Video Processing · Electrical Eng. & Systems 2022-10-26 Yanwu Yang , Xutao Guo , Zhikai Chang , Chenfei Ye , Yang Xiang , Ting Ma

Graph Neural Networks have revolutionized many machine learning tasks in recent years, ranging from drug discovery, recommendation systems, image classification, social network analysis to natural language understanding. This paper shows…

Machine Learning · Computer Science 2021-05-14 Faez Ahmed , Yaxin Cui , Yan Fu , Wei Chen

Background: Identifying new indications for approved drugs is a complex and time-consuming process that requires extensive knowledge of pharmacology, clinical data, and advanced computational methods. Recently, deep learning (DL) methods…

Machine Learning · Computer Science 2025-11-13 Shuting Jin , Yi Jiang , Yimin Liu , Tengfei Ma , Dongsheng Cao , Leyi Wei , Xiangrong Liu , Xiangxiang Zeng

$\textbf{Objective}$ Develop an automatic diagnostic system which only uses textual admission information from Electronic Health Records (EHRs) and assist clinicians with a timely and statistically proved decision tool. The hope is that the…

Computation and Language · Computer Science 2017-12-08 Christy Li , Dimitris Konomis , Graham Neubig , Pengtao Xie , Carol Cheng , Eric Xing

Understanding non-linear relationships among financial instruments has various applications in investment processes ranging from risk management, portfolio construction and trading strategies. Here, we focus on interconnectedness among…

Computational Finance · Quantitative Finance 2022-07-18 Bhaskarjit Sarmah , Nayana Nair , Dhagash Mehta , Stefano Pasquali