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Predicting drug-target interaction (DTI) is critical in the drug discovery process. Despite remarkable advances in recent DTI models through the integration of representations from diverse drug and target encoders, such models often…

Quantitative Methods · Quantitative Biology 2025-09-30 Zhaohan Meng , Zaiqiao Meng , Ke Yuan , Iadh Ounis

Deep learning's rise since the early 2010s has transformed fields like computer vision and natural language processing and strongly influenced biomedical research. For drug discovery specifically, a key inflection - akin to vision's…

Machine Learning · Computer Science 2025-11-19 Antonia Ebner , Christoph Bartmann , Sonja Topf , Sohvi Luukkonen , Johannes Schimunek , Günter Klambauer

Diffusional Kurtosis Imaging (DKI) is a sensitive biomarker for microstructure in health and disease. However, DKI is not specific to any microstructural property since it may emerge from several different sources. Q-space trajectory…

Medical Physics · Physics 2020-03-06 Rafael Neto Henriques , Sune Nørhøj Jespersen , Noam Shemesh

Retrieving the biological impacts of protein-protein interactions (PPIs) is essential for target identification (Target ID) in drug development. Given the vast number of proteins involved, this process remains time-consuming and…

Computation and Language · Computer Science 2025-06-02 Youngseung Jeon , Ziwen Li , Thomas Li , JiaSyuan Chang , Morteza Ziyadi , Xiang 'Anthony' Chen

In high-performance computing (HPC) environments, particularly in synchrotron radiation facilities, vast amounts of X-ray images are generated. Processing large-scale X-ray Computed Tomography (X-CT) datasets presents significant…

Image and Video Processing · Electrical Eng. & Systems 2026-02-19 Amarjit Singh , Kento Sato , Kohei Yoshida , Kentaro Uesugi , Yasumasa Joti , Takaki Hatsui , Andrès Rubio Proaño

The scarcity of annotations poses a significant challenge in medical image analysis. Large-scale pre-training has emerged as a promising label-efficient solution, owing to the utilization of large-scale data, large models, and advanced…

Computer Vision and Pattern Recognition · Computer Science 2024-10-15 Linshan Wu , Jiaxin Zhuang , Hao Chen

With the widespread application of artificial intelligence (AI), particularly deep learning (DL) and vision large language models (VLLMs), in skin disease diagnosis, the need for interpretability becomes crucial. However, existing…

Computer Vision and Pattern Recognition · Computer Science 2025-11-11 Yuhao Shen , Liyuan Sun , Yan Xu , Wenbin Liu , Shuping Zhang , Shawn Afvari , Zhongyi Han , Jiaoyan Song , Yongzhi Ji , Tao Lu , Xiaonan He , Xin Gao , Juexiao Zhou

Hyperspectral image (HSI) fusion aims to reconstruct a high-resolution HSI (HR-HSI) by combining the rich spectral information of a low-resolution HSI (LR-HSI) with the fine spatial details of a high-resolution multispectral image (HR-MSI).…

Computer Vision and Pattern Recognition · Computer Science 2026-02-03 Chia-Ming Lee , Yu-Hao Ho , Yu-Fan Lin , Jen-Wei Lee , Li-Wei Kang , Chih-Chung Hsu

Drug-target interaction (DTI) prediction is crucial for drug development and repositioning. Methods using heterogeneous graph neural networks (HGNNs) for DTI prediction have become a promising approach, with attention-based models often…

Biomolecules · Quantitative Biology 2024-11-05 Junwei Hu , Michael Bewong , Selasi Kwashie , Wen Zhang , Vincent M. Nofong , Guangsheng Wu , Zaiwen Feng

Realistic human-centric rendering plays a key role in both computer vision and computer graphics. Rapid progress has been made in the algorithm aspect over the years, yet existing human-centric rendering datasets and benchmarks are rather…

Drug target interaction (DTI) prediction is a cornerstone of computational drug discovery, enabling rational design, repurposing, and mechanistic insights. While deep learning has advanced DTI modeling, existing approaches primarily rely on…

Machine Learning · Computer Science 2025-11-05 Feng Jiang , Amina Mollaysa , Hehuan Ma , Tommaso Mansi , Junzhou Huang , Mangal Prakash , Rui Liao

In recent years, the integration of advanced imaging techniques and deep learning methods has significantly advanced computer-aided diagnosis (CAD) systems for breast cancer detection and classification. Transformers, which have shown great…

Computer Vision and Pattern Recognition · Computer Science 2025-07-22 Mahtab Ranjbar , Mehdi Mohebbi , Mahdi Cherakhloo , Bijan Vosoughi. Vahdat

Accurately predicting drug-drug interactions (DDIs) is crucial for pharmaceutical research and clinical safety. Recent deep learning models often suffer from high computational costs and limited generalization across datasets. In this…

Biomolecules · Quantitative Biology 2025-04-01 Manel Gil-Sorribes , Alexis Molina

Diffusion Tensor Cardiac Magnetic Resonance (DT-CMR) is the only in vivo method to non-invasively examine the microstructure of the human heart. Current research in DT-CMR aims to improve the understanding of how the cardiac microstructure…

Image and Video Processing · Electrical Eng. & Systems 2026-05-19 Yinzhe Wu , Jiahao Huang , Fanwen Wang , Pedro Ferreira , Andrew Scott , Sonia Nielles-Vallespin , Guang Yang

The discovery of drug-target interactions (DTIs) plays a crucial role in pharmaceutical development. The deep learning model achieves more accurate results in DTI prediction due to its ability to extract robust and expressive features from…

Machine Learning · Computer Science 2024-04-17 Bin Liu , Siqi Wu , Jin Wang , Xin Deng , Ao Zhou

Identifying protein targets for small molecules, or reverse screening, is essential for understanding drug action, guiding compound repurposing, predicting off-target effects, and elucidating the molecular mechanisms of bioactive compounds.…

Biomolecules · Quantitative Biology 2026-01-21 Shengjie Xu , Xianbin Ye , Mengran Zhu , Xiaonan Zhang , Shanzhuo Zhang , Xiaomin Fang

Reliable harmonization of heterogeneous magnetic resonance~(MR) image datasets, especially those acquired in pragmatic clinical trials, is critical to advance multi-center neuroimaging studies and translational machine learning in…

Cardiac magnetic resonance imaging (CMR) has emerged as a valuable diagnostic tool for cardiac diseases. However, a limitation of CMR is its slow imaging speed, which causes patient discomfort and introduces artifacts in the images. There…

Chest X-ray (CXR) interpretation is hindered by the long-tailed distribution of pathologies and the open-world nature of clinical environments. Existing benchmarks often rely on closed-set classes from single institutions, failing to…

Computer Vision and Pattern Recognition · Computer Science 2026-03-18 Hexin Dong , Yi Lin , Pengyu Zhou , Xuan Zhong Feng , Alan Clint Legasto , Mingquan Lin , Hao Chen , Yuzhe Yang , George Shih , Yifan Peng