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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

Minimizing adverse reactions caused by drug-drug interactions has always been a momentous research topic in clinical pharmacology. Detecting all possible interactions through clinical studies before a drug is released to the market is a…

Artificial Intelligence · Computer Science 2018-03-13 Meng Wang

Area of image inpainting over relatively large missing regions recently advanced substantially through adaptation of dedicated deep neural networks. However, current network solutions still introduce undesired artifacts and noise to the…

Computer Vision and Pattern Recognition · Computer Science 2018-03-21 Ugur Demir , Gozde Unal

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

Generative Adversarial Networks (GANs) represent a promising class of generative networks that combine neural networks with game theory. From generating realistic images and videos to assisting musical creation, GANs are transforming many…

Machine Learning · Computer Science 2017-12-04 Alexandre Yahi , Rami Vanguri , Noémie Elhadad , Nicholas P. Tatonetti

Through the probing of light-matter interactions, Raman spectroscopy provides invaluable insights into the composition, structure, and dynamics of materials, and obtaining such data from portable and cheap instruments is of immense…

Chemical Physics · Physics 2024-07-03 Vikas Yadav , Abhay Kumar Tiwari , Soumik Siddhanta

The development of deep neural networks has improved representation learning in various domains, including textual, graph structural, and relational triple representations. This development opened the door to new relation extraction beyond…

Computation and Language · Computer Science 2022-12-22 Masaki Asada

In silico drug-target interaction (DTI) prediction is an important and challenging problem in biomedical research with a huge potential benefit to the pharmaceutical industry and patients. Most existing methods for DTI prediction including…

Machine Learning · Computer Science 2019-08-22 Qingyuan Feng , Evgenia Dueva , Artem Cherkasov , Martin Ester

In recent years, the number of biomedical publications has steadfastly grown, resulting in a rich source of untapped new knowledge. Most biomedical facts are however not readily available, but buried in the form of unstructured text, and…

Molecular Networks · Quantitative Biology 2019-11-07 Matteo Manica , Roland Mathis , María Rodríguez Martínez

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…

Quantitative Methods · Quantitative Biology 2018-11-26 Maryam Lotfi Shahreza , Nasser Ghadiri , Seyed Rasul Mossavi , Jaleh Varshosaz , James Green

In biomedical research and artificial intelligence, access to large, well-balanced, and representative datasets is crucial for developing trustworthy applications that can be used in real-world scenarios. However, obtaining such datasets…

Computer Vision and Pattern Recognition · Computer Science 2023-04-14 Hazem Zein , Lou Laurent , Régis Fournier , Amine Nait-Ali

Training state-of-the-art (SOTA) deep learning models requires a large amount of data. The visual information present in the training data can be misused, which creates a huge privacy concern. One of the prominent solutions for this issue…

Computer Vision and Pattern Recognition · Computer Science 2024-07-10 Umesh Kashyap , Sudev Kumar Padhi , Sk. Subidh Ali

Gait as a biometric trait has attracted much attention in many security and privacy applications such as identity recognition and authentication, during the last few decades. Because of its nature as a long-distance biometric trait, gait…

Computer Vision and Pattern Recognition · Computer Science 2020-09-18 BingZhang Hu , Yu Guan , Yan Gao , Yang Long , Nicholas Lane , Thomas Ploetz

Accurate identification of drug-target interactions (DTI) remains a central challenge in computational pharmacology, where sequence-based methods offer scalability. This work introduces a sequence-based drug-target interaction framework…

Drug-drug interactions (DDIs) represent a critical challenge in pharmacology, often leading to adverse drug reactions with significant implications for patient safety and healthcare outcomes. While graph-based methods have achieved strong…

Machine Learning · Computer Science 2025-07-15 Mengjie Chen , Ming Zhang , Cunquan Qu

Matching has become the mainstream in counterfactual inference, with which selection bias between sample groups can be significantly eliminated. However in practice, when estimating average treatment effect on the treated (ATT) via…

Econometrics · Economics 2022-06-14 Boyang You , Kerry Papps

Despite the thousands of genes implicated in age-related phenotypes, effective interventions for aging remain elusive, a lack of advance rooted in the multifactorial nature of longevity and the functional interconnectedness of the molecular…

Molecular Networks · Quantitative Biology 2025-09-04 Bnaya Gross , Joseph Ehlert , Vadim N. Gladyshev , Joseph Loscalzo , Albert-László Barabási

Face aging is to render a given face to predict its future appearance, which plays an important role in the information forensics and security field as the appearance of the face typically varies with age. Although impressive results have…

Computer Vision and Pattern Recognition · Computer Science 2021-01-27 Zhizhong Huang , Shouzhen Chen , Junping Zhang , Hongming Shan

Accurate prediction of protein-ligand binding affinity is crucial for rapid and efficient drug development. Recently, the importance of predicting binding affinity has led to increased attention on research that models the three-dimensional…

Machine Learning · Computer Science 2024-07-17 Seungyeon Choi , Sangmin Seo , Sanghyun Park

In this paper, we present CrimeGAT, a novel application of Graph Attention Networks (GATs) for predictive policing in criminal networks. Criminal networks pose unique challenges for predictive analytics due to their complex structure,…

Social and Information Networks · Computer Science 2023-12-01 Chen Yang
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