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相关论文: Enhancing Drug-Drug Interaction Extraction from Te…

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In-silico prediction of repurposable drugs is an effective drug discovery strategy that supplements de-nevo drug discovery from scratch. Reduced development time, less cost and absence of severe side effects are significant advantages of…

机器学习 · 计算机科学 2021-02-23 Sk Mazharul Islam , Sk Md Mosaddek Hossain , Sumanta Ray

Drug-target interaction (DTI) prediction is a challenging, albeit essential task in drug repurposing. Learning on graph models have drawn special attention as they can significantly reduce drug repurposing costs and time commitment.…

Understanding the phenotypic drug response on cancer cell lines plays a vital rule in anti-cancer drug discovery and re-purposing. The Genomics of Drug Sensitivity in Cancer (GDSC) database provides open data for researchers in phenotypic…

定量方法 · 定量生物学 2019-01-01 Pengfei Liu

Background: In silico drug-target interaction (DTI) prediction plays an integral role in drug repositioning: the discovery of new uses for existing drugs. One popular method of drug repositioning is network-based DTI prediction, which uses…

人工智能 · 计算机科学 2017-11-02 Yiding Lu , Yufan Guo , Anna Korhonen

The work for predicting drug and target affinity(DTA) is crucial for drug development and repurposing. In this work, we propose a novel method called GDGRU-DTA to predict the binding affinity between drugs and targets, which is based on…

定量方法 · 定量生物学 2022-04-27 Lyu Zhijian , Jiang Shaohua , Liang Yigao , Gao Min

In this paper we study the practicality and usefulness of incorporating distributed representations of graphs into models within the context of drug pair scoring. We argue that the real world growth and update cycles of drug pair scoring…

机器学习 · 计算机科学 2022-11-28 Paul Scherer , Pietro Liò , Mateja Jamnik

Drug combinations are frequently used for the treatment of cancer patients in order to increase efficacy, decrease adverse side effects, or overcome drug resistance. Given the enormous number of drug combinations, it is cost- and…

分子网络 · 定量生物学 2021-02-18 Peiran Jiang , Shujun Huang , Zhenyuan Fu , Zexuan Sun , Ted M. Lakowski , Pingzhao Hu

Biomedical interaction networks have incredible potential to be useful in the prediction of biologically meaningful interactions, identification of network biomarkers of disease, and the discovery of putative drug targets. Recently, graph…

机器学习 · 计算机科学 2021-03-29 Kishan KC , Rui Li , Feng Cui , Anne Haake

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…

机器学习 · 计算机科学 2024-12-30 Minghui Li , Zikang Guo , Yang Wu , Peijin Guo , Yao Shi , Shengshan Hu , Wei Wan , Shengqing Hu

Background: The problem of predicting whether a drug combination of arbitrary orders is likely to induce adverse drug reactions is considered in this manuscript. Methods: Novel kernels over drug combinations of arbitrary orders are…

机器学习 · 计算机科学 2019-02-26 Wen-Hao Chiang , Li Shen , Lang Li , Xia Ning

Predicting drug side-effects before they occur is a key task in keeping the number of drug-related hospitalizations low and to improve drug discovery processes. Automatic predictors of side-effects generally are not able to process the…

机器学习 · 统计学 2022-12-01 Pietro Bongini , Elisa Messori , Niccolò Pancino , Monica Bianchini

Many patients with chronic diseases resort to multiple medications to relieve various symptoms, which raises concerns about the safety of multiple medication use, as severe drug-drug antagonism can lead to serious adverse effects or even…

机器学习 · 计算机科学 2023-03-07 Tian Bian , Yuli Jiang , Jia Li , Tingyang Xu , Yu Rong , Yi Su , Timothy Kwok , Helen Meng , Hong Cheng

Automatically extracting the relationships between chemicals and diseases is significantly important to various areas of biomedical research and health care. Biomedical experts have built many large-scale knowledge bases (KBs) to advance…

计算与语言 · 计算机科学 2019-12-24 Huiwei Zhou , Yunlong Yang , Shixian Ning , Zhuang Liu , Chengkun Lang , Yingyu Lin , Degen Huang

Document-level relation extraction is a complex human process that requires logical inference to extract relationships between named entities in text. Existing approaches use graph-based neural models with words as nodes and edges as…

计算与语言 · 计算机科学 2019-09-04 Fenia Christopoulou , Makoto Miwa , Sophia Ananiadou

Functional groups (FGs) are molecular substructures that are served as a foundation for analyzing and predicting chemical properties of molecules. Automatic discovery of FGs will impact various fields of research, including medicinal…

机器学习 · 计算机科学 2019-10-11 Phillip Pope , Soheil Kolouri , Mohammad Rostrami , Charles Martin , Heiko Hoffmann

Feature modeling of different modalities is a basic problem in current research of cross-modal information retrieval. Existing models typically project texts and images into one embedding space, in which semantically similar information…

多媒体 · 计算机科学 2019-06-13 Jing Yu , Chenghao Yang , Zengchang Qin , Zhuoqian Yang , Yue Hu , Weifeng Zhang

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…

机器学习 · 计算机科学 2024-10-17 Liangwei Nathan Zheng , Chang George Dong , Wei Emma Zhang , Xin Chen , Lin Yue , Weitong Chen

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…

生物物理 · 物理学 2022-04-07 Guang Chen

Accurate prediction of the binding affinity between drugs and target proteins is a core task in computer-aided drug design. Existing deep learning methods tend to ignore the information of internal sub-structural features of drug molecules…

生物大分子 · 定量生物学 2025-04-04 Jiannuo Li , Lan Yao

A growing demand for natural-scene text detection has been witnessed by the computer vision community since text information plays a significant role in scene understanding and image indexing. Deep neural networks are being used due to…

计算机视觉与模式识别 · 计算机科学 2017-08-18 Fan Jiang , Zhihui Hao , Xinran Liu