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Machine Learning in Virtual Screening

James L. Melville, Edmund K. Burke, Jonathan D. Hirst • Combinatorial Chemistry & High Throughput Screening (2009)

In this review, we highlight recent applications of machine learning to virtual screening, focusing on the use of supervised techniques to train statistical learning algorithms to prioritize databases of molecules as active against a partic...

OPENALEX DOI: https://doi.org/10.2174/138620709788167980

A Survey on Distributed Machine Learning

Joost Verbraeken, Matthijs Wolting, Jonathan Katzy, Jeroen Kloppenburg et al. • ACM Computing Surveys (2020)

The demand for artificial intelligence has grown significantly over the past decade, and this growth has been fueled by advances in machine learning techniques and the ability to leverage hardware acceleration. However, to increase the qual...

OPENALEX Open Access DOI: https://doi.org/10.1145/3377454

Machine learning in acoustics: Theory and applications

Michael J. Bianco, Peter Gerstoft, James A. Traer, Emma Reeves Ozanich et al. • The Journal of the Acoustical Society of America (2019)

Acoustic data provide scientific and engineering insights in fields ranging from biology and communications to ocean and Earth science. We survey the recent advances and transformative potential of machine learning (ML), including deep lear...

OPENALEX Open Access DOI: https://doi.org/10.1121/1.5133944

Machine Learning in Healthcare

Hafsa Habehh, Suril Gohel • Current Genomics (2021)

Recent advancements in Artificial Intelligence (AI) and Machine Learning (ML) technology have brought on substantial strides in predicting and identifying health emergencies, disease populations, and disease state and immune response, among...

OPENALEX Open Access DOI: https://doi.org/10.2174/1389202922666210705124359 PMC: 8822225

Incorporating snow accumulation and melting into the Xin'anjiang model using differentiable parameter learning

Zexin CHEN, Tongtiegang ZHAO • Shui kexue jinzhan (2025)

The Xin'anjiang model stands as one of the most important hydrological models. This paper develops a differentiable Xin'anjiang model coupled with the CemaNeige module(dMXAJ)under the framework of differentiable parameter learning. Specific...

DOAJ Open Access (DOAJ) DOI: 10.14042/j.cnki.32.1309.2025.02.003

A review of machine learning in obesity

K. W. DeGregory, Patrick K. Kuiper, Thomas DeSilvio, James D. Pleuss et al. • Obesity Reviews (2018)

Rich sources of obesity-related data arising from sensors, smartphone apps, electronic medical health records and insurance data can bring new insights for understanding, preventing and treating obesity. For such large datasets, machine lea...

OPENALEX Open Access DOI: https://doi.org/10.1111/obr.12667 PMC: 8176949

Machine Learning Methods for Histopathological Image Analysis

Daisuke Komura, Shumpei Ishikawa • Computational and Structural Biotechnology Journal (2018)

Abundant accumulation of digital histopathological images has led to the increased demand for their analysis, such as computer-aided diagnosis using machine learning techniques. However, digital pathological images and related tasks have so...

OPENALEX cc-by DOI: https://doi.org/10.1016/j.csbj.2018.01.001 PMC: 6158771

Revealing the dynamic evolution of interfacial water during Mg anodic dissolution

Xinchen Xu, Xingpeng Liao, Gaoning Shi, Yuyang Chen et al. • Journal of Magnesium and Alloys (2026)

Though magnesium alloys possess attractive mechanical properties, their applications are severely limited by galvanic corrosion, due to the rapid anodic dissolution and anomalous hydrogen evolution. In this work, well-tempered metadynamics ...

DOAJ Open Access (DOAJ) DOI: 10.1016/j.jma.2026.102217

Simulation of Flow-Induced Vibration and Dynamic Performance of Circular-Arc Helical Gear Pump under Background of Machine Learning

Xiaoling Wei, Yongbao Feng, Xiaoxia Han, Zhenxin He • International Transactions on Electrical Energy Systems (2022)

At present, with the continuous development and great improvement of mechanical manufacturing, processing, and assembly technology, mechanical flow-induced vibration (FIV) with a relatively concentrated frequency domain can be controlled by...

DOAJ Open Access (DOAJ) DOI: 10.1155/2022/9513357

Interpretable machine learning

Parliamentary Office of Science and Technology, Lorna Christie (2020)

Machine learning (ML, a type of artificial intelligence) is increasingly being used to support decision making in a variety of applications including recruitment and clinical diagnoses. While ML has many advantages, there are concerns that ...

OPENALEX Open Access DOI: https://doi.org/10.58248/pn633

Quantum Chemistry in the Age of Machine Learning

Pavlo O. Dral • The Journal of Physical Chemistry Letters (2020)

As the quantum chemistry (QC) community embraces machine learning (ML), the number of new methods and applications based on the combination of QC and ML is surging. In this Perspective, a view of the current state of affairs in this new and...

OPENALEX Open Access DOI: https://doi.org/10.1021/acs.jpclett.9b03664

Machine Learning in Agriculture: A Review

Konstantinos G. Liakos, Patrizia Busato, Dimitrios Moshou, Simon Pearson et al. • Sensors (2018)

Machine learning has emerged with big data technologies and high-performance computing to create new opportunities for data intensive science in the multi-disciplinary agri-technologies domain. In this paper, we present a comprehensive revi...

OPENALEX cc-by DOI: https://doi.org/10.3390/s18082674 PMC: 6111295

Finding Density Functionals with Machine Learning

John C. Snyder, Matthias Rupp, Katja Hansen, Klaus‐Robert Müller et al. • Physical Review Letters (2012)

Machine learning is used to approximate density functionals. For the model problem of the kinetic energy of noninteracting fermions in 1D, mean absolute errors below 1 kcal/mol on test densities similar to the training set are reached with ...

OPENALEX Open Access DOI: https://doi.org/10.1103/physrevlett.108.253002

Introduction to Machine Learning

Arvind Kumar Tiwari • IGI Global eBooks (2019)

Machine learning refers to the changes in systems that perform tasks associated with artificial intelligence. This chapter presents introduction types and application of machine learning. This chapter also presents the basic concepts relate...

OPENALEX DOI: https://doi.org/10.4018/978-1-7998-0414-7.ch003

Exploring the application and challenges of fNIRS technology in early detection of Parkinson’s disease

Pengsheng Hui, Yu Jiang, Jie Wang, Congxiao Wang et al. • Frontiers in Aging Neuroscience (2024)

BackgroundParkinson’s disease (PD) is a prevalent neurodegenerative disorder that significantly benefits from early diagnosis for effective disease management and intervention. Despite advancements in medical technology, there remains a cri...

DOAJ Open Access (DOAJ) DOI: 10.3389/fnagi.2024.1354147

Application of MRI-Based Radiomics in Preoperative Prediction of NF2 Alteration in Intracranial Meningiomas

Shuchen Sun, Shuchen Sun, Shuchen Sun, Leihao Ren et al. • Frontiers in Oncology (2022)

PurposeThis study aimed to investigate the feasibility of predicting NF2 mutation status based on the MR radiomic analysis in patients with intracranial meningioma.MethodsThis retrospective study included 105 patients with meningiomas, incl...

DOAJ Open Access (DOAJ) DOI: 10.3389/fonc.2022.879528

MATCHA, a novel regional hydroclimate-chemical reanalysis: System description and evaluation

C. Roychoudhury, R. Kumar, C. He, W. Y. Y. Cheng et al. • Earth System Science Data (2026)

We present MATCHA (Model for Atmospheric Transport and Chemistry in Asia), a 17-year (2003–2019) regional hydroclimate-chemical reanalysis for Asia (58–140° E, 4– 40° N) at 12 km resolution. MATCHA couples the Weather Research and Forecasti...

DOAJ Open Access (DOAJ) DOI: 10.5194/essd-18-5209-2026

Machine Learning from Theory to Algorithms: An Overview

Jafar Ahmad Abed Alzubi, Anand Nayyar, Akshi Kumar • Journal of Physics Conference Series (2018)

The current SMAC (Social, Mobile, Analytic, Cloud) technology trend paves the way to a future in which intelligent machines, networked processes and big data are brought together. This virtual world has generated vast amount of data which i...

OPENALEX cc-by DOI: https://doi.org/10.1088/1742-6596/1142/1/012012