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Instant machine learning predictions of molecular properties are desirable for materials design, but the predictive power of the methodology is mainly tested on well-known benchmark datasets. Here, we investigate the performance of machine…

The United States is experiencing an opioid epidemic, and there were more than 10 million opioid misusers aged 12 or older each year. Identifying patients at high risk of Opioid Use Disorder (OUD) can help to make early clinical…

Brain disorders are an umbrella term for a group of neurological and psychiatric conditions that have a major effect on thinking, feeling, and acting. These conditions encompass a wide range of conditions. The illnesses in question pose…

Neurons and Cognition · Quantitative Biology 2025-11-11 Aniruddha Saha , Soujanya Hazra , Sanjay Ghosh

A key goal of computational personalized medicine is to systematically utilize genomic and other molecular features of samples to predict drug responses for a previously unseen sample. Such predictions are valuable for developing hypotheses…

With the introduction of the Electric Health Records, large amounts of digital data become available for analysis and decision support. When physicians are prescribing treatments to a patient, they need to consider a large range of data…

Machine Learning · Computer Science 2016-12-05 Yinchong Yang , Peter A. Fasching , Markus Wallwiener , Tanja N. Fehm , Sara Y. Brucker , Volker Tresp

The prediction of disease risk factors can screen vulnerable groups for effective prevention and treatment, so as to reduce their morbidity and mortality. Machine learning has a great demand for high-quality labeling information, and…

Machine Learning · Computer Science 2024-06-26 Yang Lin , Muqing Li , Ziyi Zhu , Yinqiu Feng , Lingxi Xiao , Zexi Chen

Recent advances in cancer research largely rely on new developments in microscopic or molecular profiling techniques offering high level of detail with respect to either spatial or molecular features, but usually not both. Here, we present…

Computer-aided breast cancer diagnosis in mammography is a challenging problem, stemming from mammographical data scarcity and data entanglement. In particular, data scarcity is attributed to the privacy and expensive annotation. And data…

Computer Vision and Pattern Recognition · Computer Science 2021-01-01 Heyi Li , Dongdong Chen , William H. Nailon , Mike E. Davies , David Laurenson

Coronary Heart Disease affects millions of people worldwide and is a well-studied area of healthcare. There are many viable and accurate methods for the diagnosis and prediction of heart disease, but they have limiting points such as…

Artificial Intelligence · Computer Science 2024-09-24 Jamal Al-Karaki , Philip Ilono , Sanchit Baweja , Jalal Naghiyev , Raja Singh Yadav , Muhammad Al-Zafar Khan

The use of machine learning (ML) algorithms in molecular simulations has become commonplace in recent years. There now exists, for instance, a multitude of ML force field algorithms that have enabled simulations approaching ab initio level…

Chemical Physics · Physics 2025-04-17 Jakub K. Sowa , Peter J. Rossky

Predicting drug responses using genetic and transcriptomic features is crucial for enhancing personalized medicine. In this study, we implemented an ensemble of machine learning algorithms to analyze the correlation between genetic and…

Genomics · Quantitative Biology 2025-07-04 Johannes Schlüter , Alexander Schönhuth

With the increasing adoption of machine learning tools like neural networks across several domains, interesting connections and comparisons to concepts from other domains are coming to light. In this work, we focus on the class of Tensor…

Machine Learning · Computer Science 2020-04-22 Raghavendra Selvan , Erik B Dam

Brain tumors require an assessment to ensure timely diagnosis and effective patient treatment. Morphological factors such as size, location, texture, and variable appearance complicate tumor inspection. Medical imaging presents challenges,…

Computer Vision and Pattern Recognition · Computer Science 2025-06-27 Md. Zahid Hasan , Abdullah Tamim , D. M. Asadujjaman , Md. Mahfujur Rahman , Md. Abu Ahnaf Mollick , Nosin Anjum Dristi , Abdullah-Al-Noman

Predicting behavioral variables from neuroimaging modalities such as magnetic resonance imaging (MRI) has the potential to allow the development of neuroimaging biomarkers of mental and neurological disorders. A crucial processing step to…

Neurons and Cognition · Quantitative Biology 2025-07-29 Mikkel Schöttner Sieler , Thomas A. W. Bolton , Jagruti Patel , Patric Hagmann

Compositional disorder is common in crystal compounds. In these compounds, some atoms are randomly distributed at some crystallographic sites. For such compounds, randomness forms many non-identical independent structures. Thus, calculating…

Materials Science · Physics 2022-12-23 Mostafa Yaghoobi , Mojtaba Alaei

Most brain disorders are very heterogeneous in terms of their underlying biology and developing analysis methods to model such heterogeneity is a major challenge. A promising approach is to use probabilistic regression methods to estimate…

Machine Learning · Statistics 2018-12-03 Seyed Mostafa Kia , Christian F. Beckmann , Andre F. Marquand

Machine learning is employed in healthcare to draw approximate conclusions regarding human diseases and mental health problems. Compared to older traditional methods, it can help to analyze data more efficiently and produce better and more…

Neurons and Cognition · Quantitative Biology 2023-05-25 Narges Ramesh , Yasmin Ghodsi , Hamidreza Bolhasani

The assessment of Alzheimer's Disease (AD) and Mild Cognitive Impairment (MCI) associated with brain changes remains a challenging task. Recent studies have demonstrated that combination of multi-modality imaging techniques can better…

Machine Learning · Computer Science 2022-09-26 Jun Yu , Zhaoming Kong , Liang Zhan , Li Shen , Lifang He

The widespread digitization of patient data via electronic health records (EHRs) has created an unprecedented opportunity to use machine learning algorithms to better predict disease risk at the patient level. Although predictive models…

This study explores the application potential of a deep learning model based on the CNN-LSTM framework in forecasting the sales volume of cancer drugs, with a focus on modeling complex time series data. As advancements in medical technology…

Computational Engineering, Finance, and Science · Computer Science 2025-06-30 Yinghan Li , Yilin Yao , Junghua Lin , Nanxi Wang