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Related papers: Enhancing Drug-Target Interaction Prediction throu…

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Multi-task learning (MTL) is a powerful approach in deep learning that leverages the information from multiple tasks during training to improve model performance. In medical imaging, MTL has shown great potential to solve various tasks.…

Computer Vision and Pattern Recognition · Computer Science 2023-09-08 Sangwook Kim , Thomas G. Purdie , Chris McIntosh

Precise interference detection and identification are crucial for enhancing the survivability of communication systems in non-cooperative wireless environments. While deep learning (DL) has advanced this field, existing single-task learning…

Machine Learning · Computer Science 2026-04-13 H. Xu , B. He , S. Wang

Developing and discovering new drugs is a complex and resource-intensive endeavor that often involves substantial costs, time investment, and safety concerns. A key aspect of drug discovery involves identifying novel drug-target (DT)…

Machine Learning · Computer Science 2024-02-13 Rakesh Bal , Yijia Xiao , Wei Wang

Machine learning and deep learning have gained popularity and achieved immense success in Drug discovery in recent decades. Historically, machine learning and deep learning models were trained on either structural data or chemical…

Machine Learning · Statistics 2019-09-18 Huy Ngoc Pham , Trung Hoang Le

Emotion recognition is a critical component of affective computing. Training accurate machine learning models for emotion recognition typically requires a large amount of labeled data. Due to the subtleness and complexity of emotions,…

Machine Learning · Computer Science 2024-12-03 Yifan Xu , Xue Jiang , Dongrui Wu

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

Accurate prediction of protein-ligand interactions is essential for computer-aided drug discovery. However, existing methods often fail to capture solvent-dependent conformational changes and lack the ability to jointly learn multiple…

Accurate prediction of drug-target binding affinity can accelerate drug discovery by prioritizing promising compounds before costly wet-lab screening. While deep learning has advanced this task, most models fuse ligand and protein…

Machine Learning · Computer Science 2025-09-26 Mohammadsaleh Refahi , Bahrad A. Sokhansanj , James R. Brown , Gail Rosen

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

Aggregating pharmaceutical data in the drug-target interaction (DTI) domain has the potential to deliver life-saving breakthroughs. It is, however, notoriously difficult due to regulatory constraints and commercial interests. This work…

Machine Learning · Computer Science 2023-10-19 Gianluca Mittone , Filip Svoboda , Marco Aldinucci , Nicholas D. Lane , Pietro Lio

Algorithmic bias often arises as a result of differential subgroup validity, in which predictive relationships vary across groups. For example, in toxic language detection, comments targeting different demographic groups can vary markedly…

Machine Learning · Computer Science 2023-03-08 Soumyajit Gupta , Sooyong Lee , Maria De-Arteaga , Matthew Lease

Predicting molecular properties (e.g., atomization energy) is an essential issue in quantum chemistry, which could speed up much research progress, such as drug designing and substance discovery. Traditional studies based on density…

Computational Physics · Physics 2019-08-20 Chengqiang Lu , Qi Liu , Chao Wang , Zhenya Huang , Peize Lin , Lixin He

This paper examines the effectiveness of combining active learning and transfer learning for anomaly detection in cross-domain time-series data. Our results indicate that there is an interaction between clustering and active learning and in…

Machine Learning · Computer Science 2025-08-07 John D. Kelleher , Matthew Nicholson , Rahul Agrahari , Clare Conran

The identification of drug-target binding affinity (DTA) has attracted increasing attention in the drug discovery process due to the more specific interpretation than binary interaction prediction. Recently, numerous deep learning-based…

Machine Learning · Computer Science 2022-03-23 Zhaoyang Chu , Shichao Liu , Wen Zhang

Accurate prediction of drug-target interactions is critical for advancing drug discovery. By reducing time and cost, machine learning and deep learning can accelerate this laborious discovery process. In a novel approach, BarlowDTI, we…

Biomolecules · Quantitative Biology 2024-10-15 Maximilian G. Schuh , Davide Boldini , Annkathrin I. Bohne , Stephan A. Sieber

Assessing drug-target affinity is a critical step in the drug discovery and development process, but to obtain such data experimentally is both time consuming and expensive. For this reason, computational methods for predicting binding…

Machine Learning · Computer Science 2022-09-15 Elizaveta Vinogradova , Karina Pats , Ferdinand Molnár , Siamac Fazli

Large Language Models (LLMs) have demonstrated tremendous potential as the next-generation ranking-based recommendation system. Many recent works have shown that LLMs can significantly outperform conventional click-through-rate (CTR)…

Information Retrieval · Computer Science 2025-03-18 Allen Lin , Renqin Cai , Yun He , Hanchao Yu , Jing Qian , Rui Li , Qifan Wang , James Caverlee

Adaptive Mixed-Criticality (AMC) is a fixed-priority preemptive scheduling algorithm for mixed-criticality hard real-time systems. It dominates many other scheduling algorithms for mixed-criticality systems, but does so at the cost of…

Operating Systems · Computer Science 2024-11-04 Bruno Mendes , Pedro F. Souto , Pedro C. Diniz

Drug-drug interactions are preventable causes of medical injuries and often result in doctor and emergency room visits. Computational techniques can be used to predict potential drug-drug interactions. We approach the drug-drug interaction…

Machine Learning · Computer Science 2019-08-06 Guy Shtar , Lior Rokach , Bracha Shapira

Click-Through Rate (CTR) prediction is one of the most important machine learning tasks in recommender systems, driving personalized experience for billions of consumers. Neural architecture search (NAS), as an emerging field, has…

Information Retrieval · Computer Science 2020-07-14 Qingquan Song , Dehua Cheng , Hanning Zhou , Jiyan Yang , Yuandong Tian , Xia Hu
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