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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…

定量方法 · 定量生物学 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…

人工智能 · 计算机科学 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…

计算机视觉与模式识别 · 计算机科学 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…

计算与语言 · 计算机科学 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…

机器学习 · 计算机科学 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…

化学物理 · 物理学 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…

计算与语言 · 计算机科学 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…

机器学习 · 计算机科学 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…

分子网络 · 定量生物学 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…

定量方法 · 定量生物学 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…

计算机视觉与模式识别 · 计算机科学 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…

计算机视觉与模式识别 · 计算机科学 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…

计算机视觉与模式识别 · 计算机科学 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…

机器学习 · 计算机科学 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…

计量经济学 · 经济学 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…

分子网络 · 定量生物学 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…

计算机视觉与模式识别 · 计算机科学 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…

机器学习 · 计算机科学 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,…

社会与信息网络 · 计算机科学 2023-12-01 Chen Yang