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Drug discovery and development is a complex and costly process. Machine learning approaches are being investigated to help improve the effectiveness and speed of multiple stages of the drug discovery pipeline. Of these, those that use…

Artificial Intelligence · Computer Science 2022-09-27 Stephen Bonner , Ian P Barrett , Cheng Ye , Rowan Swiers , Ola Engkvist , Andreas Bender , Charles Tapley Hoyt , William L Hamilton

There remains an urgent need to identify existing drugs that might be suitable for treating patients suffering from COVID-19 infection. Drugs rarely act at a single molecular target, with off target effects often being responsible for…

Biomolecules · Quantitative Biology 2020-09-03 Sakshi Piplani , Puneet Singh , Nikolai Petrovsky , David A. Winkler

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…

Machine Learning · Computer Science 2018-12-05 Yilong Yang , Zhuyifan Ye , Yan Su , Qianqian Zhao , Xiaoshan Li , Defang Ouyang

The emergence of COVID-19 has severely compromised the arsenal of antiviral and antibiotic drugs. Drug discovery is a multistep process with a high failure rate, high cost and it takes approximately 10-12 years for the development of new…

Biomolecules · Quantitative Biology 2020-04-15 Atanu Barik , Geeta Rai , Gyan Modi

Identifying relationships between molecular variations and their clinical presentations has been challenged by the heterogeneous causes of a disease. It is imperative to unveil the relationship between the high dimensional molecular…

Methodology · Statistics 2021-09-02 Wennan Chang , Changlin Wan , Yong Zang , Chi Zhang , Sha Cao

Drug discovery is a complex process that involves sequentially screening and examining a vast array of molecules to identify those with the target properties. This process, also referred to as sequential experimentation, faces challenges…

Artificial Intelligence · Computer Science 2024-05-08 Jinghai He , Cheng Hua , Yingfei Wang , Zeyu Zheng

Graph clustering is an unsupervised machine learning method that partitions the nodes in a graph into different groups. Despite achieving significant progress in exploiting both attributed and structured data information, graph clustering…

Machine Learning · Computer Science 2025-01-03 Rui Zhang , Xiaoyang Hou , Zhihua Tian , Yan he , Enchao Gong , Jian Liu , Qingbiao Wu , Kui Ren

In the last few months, the novel COVID19 pandemic has spread all over the world. Due to its easy transmission, developing techniques to accurately and easily identify the presence of COVID19 and distinguish it from other forms of flu and…

Image and Video Processing · Electrical Eng. & Systems 2020-04-01 Muhammad Farooq , Abdul Hafeez

Computer-Aided Drug Discovery research has proven to be a promising direction in drug discovery. In recent years, Deep Learning approaches have been applied to problems in the domain such as Drug-Target Interaction Prediction and have shown…

Machine Learning · Computer Science 2020-04-28 Brighter Agyemang , Wei-Ping Wu , Michael Y. Kpiebaareh , Ebenezer Nanor

The objective of this study is to develop a robust deep learning-based framework to distinguish COVID-19, Community-Acquired Pneumonia (CAP), and Normal cases based on chest CT scans acquired in different imaging centers using various…

We introduced a methodology to efficiently exploit natural-language expressed biomedical knowledge for repurposing existing drugs towards diseases for which they were not initially intended. Leveraging on developments in Computational…

Quantitative Methods · Quantitative Biology 2014-06-17 Ruggero Gramatica , T. Di Matteo , Stefano Giorgetti , Massimo Barbiani , Dorian Bevec , Tomaso Aste

Person re-identification (re-ID), is a challenging task due to the high variance within identity samples and imaging conditions. Although recent advances in deep learning have achieved remarkable accuracy in settled scenes, i.e., source…

Computer Vision and Pattern Recognition · Computer Science 2019-12-04 Fengxiang Yang , Ke Li , Zhun Zhong , Zhiming Luo , Xing Sun , Hao Cheng , Xiaowei Guo , Feiyue Huang , Rongrong Ji , Shaozi Li

This study presents a comprehensive review of the potential of multimodal deep learning (DL) in medical diagnosis, using COVID-19 as a case example. Motivated by the success of artificial intelligence applications during the COVID-19…

Timely access to accurate scientific literature in the battle with the ongoing COVID-19 pandemic is critical. This unprecedented public health risk has motivated research towards understanding the disease in general, identifying drugs to…

The effectiveness of clopidogrel, a widely used antiplatelet medication, varies significantly among individuals, necessitating the development of precise predictive models to optimize patient care. In this study, we leverage federated…

Machine Learning · Computer Science 2024-03-07 Samuel Kim , Min Sang Kim

In unsupervised learning, identifying an effective clustering algorithm for a given tabular dataset remains a fundamental challenge. We introduce ClustRecNet, a novel end-to-end deep learning framework that recommends a suitable clustering…

The pandemic of coronavirus disease 2019 (COVID-19) has lead to a global public health crisis spreading hundreds of countries. With the continuous growth of new infections, developing automated tools for COVID-19 identification with CT…

Image and Video Processing · Electrical Eng. & Systems 2020-09-17 Zhao Wang , Quande Liu , Qi Dou

Deep neural networks are a family of computational models that have led to a dramatical improvement of the state of the art in several domains such as image, voice or text analysis. These methods provide a framework to model complex,…

Machine Learning · Statistics 2018-02-12 Louis Falissard , Guy Fagherazzi , Newton Howard , Bruno Falissard

The objective of this research is to introduce a network specialized in predicting drugs that can be repurposed by investigating real-world evidence sources, such as clinical trials and biomedical literature. Specifically, it aims to…

Artificial Intelligence · Computer Science 2024-06-28 Ahmed Abdeen Hamed , Tamer E. Fandy

Learning to re-identify or retrieve a group of people across non-overlapped camera systems has important applications in video surveillance. However, most existing methods focus on (single) person re-identification (re-id), ignoring the…

Computer Vision and Pattern Recognition · Computer Science 2021-04-30 Yichao Yan , Jie Qin , Bingbing Ni , Jiaxin Chen , Li Liu , Fan Zhu , Wei-Shi Zheng , Xiaokang Yang , Ling Shao