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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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

定量方法 · 定量生物学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

化学物理 · 物理学 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…

计算与语言 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

计算与语言 · 计算机科学 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…

机器学习 · 计算机科学 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…

基因组学 · 定量生物学 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…

机器学习 · 计算机科学 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…

计算机视觉与模式识别 · 计算机科学 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…

图像与视频处理 · 电气工程与系统科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

计算与语言 · 计算机科学 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…

计算金融 · 定量金融 2022-07-18 Bhaskarjit Sarmah , Nayana Nair , Dhagash Mehta , Stefano Pasquali