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Coronavirus Disease 2019 (COVID-19) has been creating a worldwide pandemic situation. Repurposing drugs, already shown to be free of harmful side effects, for the treatment of COVID-19 patients is an important option in launching novel…

Molecular Networks · Quantitative Biology 2020-07-07 Sumanta Ray , Snehalika Lall , Anirban Mukhopadhyay , Sanghamitra Bandyopadhyay , Alexander Schönhuth

Gene regulatory networks (GRNs) orchestrate cellular decision making and survival strategies. Inferring the structure of these networks from high-dimensional transcriptomics data is a central challenge in systems biology. Traditional…

Applications · Statistics 2025-08-01 Visweswaran Ravikumar , Aaresh Bhathena , Wajd N Al-Holou , Salar Fattahi , Arvind Rao

Transcriptomic data is a treasure-trove in modern molecular biology, as it offers a comprehensive viewpoint into the intricate nuances of gene expression dynamics underlying biological systems. This genetic information must be utilised to…

Molecular Networks · Quantitative Biology 2023-12-13 Vikram Singh , Vikram Singh

Protein (receptor)--ligand interaction prediction is a critical component in computer-aided drug design, significantly influencing molecular docking and virtual screening processes. Despite the development of numerous scoring functions in…

Biomolecules · Quantitative Biology 2024-01-22 Haoyu Lin , Shiwei Wang , Jintao Zhu , Yibo Li , Jianfeng Pei , Luhua Lai

Efficient and effective drug-target binding affinity (DTBA) prediction is a challenging task due to the limited computational resources in practical applications and is a crucial basis for drug screening. Inspired by the good representation…

Biomolecules · Quantitative Biology 2022-06-15 Shuke Zhang , Yanzhao Jin , Tianmeng Liu , Qi Wang , Zhaohui Zhang , Shuliang Zhao , Bo Shan

Machine learning methods play increasingly important roles in pre-procedural planning for complex surgeries and interventions. Very often, however, researchers find the historical records of emerging surgical techniques, such as the…

Computer Vision and Pattern Recognition · Computer Science 2019-02-06 Jialei Chen , Yujia Xie , Kan Wang , Zih Huei Wang , Geet Lahoti , Chuck Zhang , Mani A Vannan , Ben Wang , Zhen Qian

A large number of inorganic and organic compounds are able to bind DNA and form complexes, among which drug-related molecules are important. Chromatin accessibility changes not only directly affects drug-DNA interactions, but also promote…

Genomics · Quantitative Biology 2022-04-07 Yikang Zhang , Xiaomin Chu , Yelu Jiang , Hongjie Wu , Lijun Quan

Predicting signed interactions in biological networks is crucial for understanding drug mechanisms and facilitating drug repurposing. While deep graph models have demonstrated success in modeling complex biological systems, existing…

Machine Learning · Computer Science 2025-03-19 Shuyi Jin , Mengji Zhang , Meijie Wang , Lun Yu

Recent advancements in Generative Adversarial Networks (GANs) enable the generation of highly realistic images, raising concerns about their misuse for malicious purposes. Detecting these GAN-generated images (GAN-images) becomes…

Computer Vision and Pattern Recognition · Computer Science 2020-08-11 Hyeonseong Jeon , Youngoh Bang , Junyaup Kim , Simon S. Woo

Inferring the structure of gene regulatory networks (GRN) from gene expression data has many applications, from the elucidation of complex biological processes to the identification of potential drug targets. It is however a notoriously…

Machine Learning · Statistics 2012-05-08 Anne-Claire Haury , Fantine Mordelet , Paola Vera-Licona , Jean-Philippe Vert

Motivation: Identifying drug-target interactions (DTIs) is a key step in drug repositioning. In recent years, the accumulation of a large number of genomics and pharmacology data has formed mass drug and target related heterogeneous…

Machine Learning · Computer Science 2022-10-19 Hongzhun Wang , Feng Huang , Wen Zhang

Generative adversarial networks (GANs) are one powerful type of deep learning models that have been successfully utilized in numerous fields. They belong to a broader family called generative methods, which generate new data with a…

Signed link prediction in graphs is an important problem that has applications in diverse domains. It is a binary classification problem that predicts whether an edge between a pair of nodes is positive or negative. Existing approaches for…

Social and Information Networks · Computer Science 2022-01-19 Roshni Chakraborty , Ritwika Das , Joydeep Chandra

With the development of convolutional neural network, deep learning has shown its success for retinal disease detection from optical coherence tomography (OCT) images. However, deep learning often relies on large scale labelled data for…

Computer Vision and Pattern Recognition · Computer Science 2020-02-04 Kang Zhou , Shenghua Gao , Jun Cheng , Zaiwang Gu , Huazhu Fu , Zhi Tu , Jianlong Yang , Yitian Zhao , Jiang Liu

Network pharmacology (NP) explores pharmacological mechanisms through biological networks. Multi-omics data enable multi-layer network construction under diverse conditions, requiring integration into NP analyses. We developed POINT, a…

Molecular Networks · Quantitative Biology 2025-03-11 Zihao He , Liu Liu , Dongchen Han , Kai Gao , Lei Dong , Dechao Bu , Peipei Huo , Zhihao Wang , Wenxin Deng , Jingjia Liu , Jin-cheng Guo , Yi Zhao , Yang Wu

In the realm of medical image fusion, integrating information from various modalities is crucial for improving diagnostics and treatment planning, especially in retinal health, where the important features exhibit differently in different…

Image and Video Processing · Electrical Eng. & Systems 2024-07-22 Xin Tian , Nantheera Anantrasirichai , Lindsay Nicholson , Alin Achim

In this paper, we design a Generative Adversarial Network (GAN)-based solution for super-resolution and segmentation of optical coherence tomography (OCT) scans of the retinal layers. OCT has been identified as a non-invasive and…

Image and Video Processing · Electrical Eng. & Systems 2022-06-29 Paria Jeihouni , Omid Dehzangi , Annahita Amireskandari , Ali Rezai , Nasser M. Nasrabadi

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…

Information Retrieval · Computer Science 2021-02-09 Zhi Zheng , Chao Wang , Tong Xu , Dazhong Shen , Penggang Qin , Baoxing Huai , Tongzhu Liu , Enhong Chen

One of the most difficult problems difficult problem in systems biology is to discover protein-protein interactions as well as their associated functions. The analysis and alignment of protein-protein interaction networks (PPIN), which are…

Molecular Networks · Quantitative Biology 2019-02-20 Ricardo Alberich , Adrià Alcala , Mercè Llabrés , Francesc Rosselló , Gabriel Valiente

Protein-ligand modeling underpins computational drug discovery and molecular design. Existing protein-ligand benchmarks typically evaluate whether a protein and ligand interact and how strongly they bind, through tasks such as binary…

Machine Learning · Computer Science 2026-05-26 Zhaohan Meng , Zhen Bai , Ke Yuan , Iadh Ounis , Zaiqiao Meng , Hao Xu , Joseph Loscalzo