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Development of new medications is a very lengthy and costly process. Finding novel indications for existing drugs, or drug repositioning, can serve as a useful strategy to shorten the development cycle. In this study, we present an approach…

基因组学 · 定量生物学 2017-12-13 Kai Zhao , Hon-Cheong So

Background: Computational drug repurposing is a cost- and time-efficient approach that aims to identify new therapeutic targets or diseases (indications) of existing drugs/compounds. It is especially critical for emerging and/or orphan…

定量方法 · 定量生物学 2023-04-26 Chunyu Ma , Zhihan Zhou , Han Liu , David Koslicki

Drug discovery remains a slow and expensive process that involves many steps, from detecting the target structure to obtaining approval from the Food and Drug Administration (FDA), and is often riddled with safety concerns. Accurate…

定量方法 · 定量生物学 2025-08-22 Ali Vefghi , Zahed Rahmati , Mohammad Akbari

Current pharmaceutical formulation development still strongly relies on the traditional trial-and-error approach by individual experiences of pharmaceutical scientists, which is laborious, time-consuming and costly. Recently, deep learning…

机器学习 · 计算机科学 2018-12-05 Yilong Yang , Zhuyifan Ye , Yan Su , Qianqian Zhao , Xiaoshan Li , Defang Ouyang

With the advancements in computer technology, there is a rapid development of intelligent systems to understand the complex relationships in data to make predictions and classifications. Artificail Intelligence based framework is rapidly…

机器学习 · 计算机科学 2021-07-30 G Jignesh Chowdary , Suganya G , Premalatha M , Asnath Victy Phamila Y , Karunamurthy K

Accurate and robust drug response prediction is of utmost importance in precision medicine. Although many models have been developed to utilize the representations of drugs and cancer cell lines for predicting cancer drug responses (CDR),…

定量方法 · 定量生物学 2023-11-22 Xiaoqiong Xia , Chaoyu Zhu , Yuqi Shan , Fan Zhong , Lei Liu

The increasing availability of large collections of electronic health record (EHR) data and unprecedented technical advances in deep learning (DL) have sparked a surge of research interest in developing DL based clinical decision support…

机器学习 · 计算机科学 2021-12-07 Di Jin , Elena Sergeeva , Wei-Hung Weng , Geeticka Chauhan , Peter Szolovits

Drug combination therapy is a well-established strategy for disease treatment with better effectiveness and less safety degradation. However, identifying novel drug combinations through wet-lab experiments is resource intensive due to the…

机器学习 · 计算机科学 2023-01-18 Zhihang Hu , Qinze Yu , Yucheng Guo , Taifeng Wang , Irwin King , Xin Gao , Le Song , Yu Li

Recent progress in deep learning is revolutionizing the healthcare domain including providing solutions to medication recommendations, especially recommending medication combination for patients with complex health conditions. Existing…

人工智能 · 计算机科学 2019-03-08 Junyuan Shang , Cao Xiao , Tengfei Ma , Hongyan Li , Jimeng Sun

Recent years have witnessed the rapid accumulation of massive electronic medical records (EMRs), which highly support the intelligent medical services such as drug recommendation. However, prior arts mainly follow the traditional…

信息检索 · 计算机科学 2021-02-09 Zhi Zheng , Chao Wang , Tong Xu , Dazhong Shen , Penggang Qin , Baoxing Huai , Tongzhu Liu , Enhong Chen

Drug repositioning offers an effective solution to drug discovery, saving both time and resources by finding new indications for existing drugs. Typically, a drug takes effect via its protein targets in the cell. As a result, it is…

定量方法 · 定量生物学 2018-11-26 Maryam Lotfi Shahreza , Nasser Ghadiri , Seyed Rasul Mossavi , Jaleh Varshosaz , James Green

Deep learning (DL) becomes increasingly pervasive, being used in a wide range of software applications. These software applications, named as DL based software (in short as DL software), integrate DL models trained using a large data corpus…

软件工程 · 计算机科学 2020-11-12 Zhenpeng Chen , Yanbin Cao , Yuanqiang Liu , Haoyu Wang , Tao Xie , Xuanzhe Liu

In clinical treatment, identifying potential adverse reactions of drugs can help assist doctors in making medication decisions. In response to the problems in previous studies that features are high-dimensional and sparse, independent…

定量方法 · 定量生物学 2024-07-30 Yufeng Li , Wenchao Zhao , Bo Dang , Xu Yan , Weimin Wang , Min Gao , Mingxuan Xiao

Medication recommendation is a crucial task for intelligent healthcare systems. Previous studies mainly recommend medications with electronic health records (EHRs). However, some details of interactions between doctors and patients may be…

计算与语言 · 计算机科学 2022-09-16 Zhenfeng He , Yuqiang Han , Zhenqiu Ouyang , Wei Gao , Hongxu Chen , Guandong Xu , Jian Wu

Repurposing existing drugs to treat new diseases is a cost-effective alternative to de novo drug development, but there are millions of potential drug-disease combinations to be considered with only a small fraction being viable. In silico…

定量方法 · 定量生物学 2025-10-24 Austin Polanco , M. E. J. Newman

Drug repurposing identifies new therapeutic uses for existing drugs, reducing the time and costs compared to traditional de novo drug discovery. Most existing drug repurposing studies using real-world patient data often treat the entire…

机器学习 · 计算机科学 2024-12-31 Seungyeon Lee , Ruoqi Liu , Feixiong Cheng , Ping Zhang

Drug repositioning-a promising strategy for discovering new therapeutic uses for existing drugs-has been increasingly explored in the computational science literature using biomedical databases. However, the technological potential of drug…

人工智能 · 计算机科学 2024-07-25 Yongseung Jegal , Jaewoong Choi , Jiho Lee , Ki-Su Park , Seyoung Lee , Janghyeok Yoon

Most of the existing medicine recommendation systems that are mainly based on electronic medical records (EMRs) are significantly assisting doctors to make better clinical decisions benefiting both patients and caregivers. Even though the…

信息检索 · 计算机科学 2020-12-01 Fang Gong , Meng Wang , Haofen Wang , Sen Wang , Mengyue Liu

The extraction of biomedical data has significant academic and practical value in contemporary biomedical sciences. In recent years, drug repositioning, a cost-effective strategy for drug development by discovering new indications for…

机器学习 · 计算机科学 2025-01-20 Enqiang Zhu , Xiang Li , Chanjuan Liu , Nikhil R. Pal