Optimizing protein-ligand docking through machine learning: algorithm selection with AutoDock Vina by Ala’ Omar Hasan Zayed

“…Abstract Context Understanding protein-ligand interactions is fundamental to drug design, where optimizing docking parameter selection can potentially enhance computational efficiency and resource allocation in virtual screening. While numerous algorithms exist for protein-ligand docking, achieving an optimal balance between accuracy and computational speed remains challenging. …”
Get full text

A novel myocarditis detection combining deep reinforcement learning and an improved differential evolution algorithm by Jing Yang, Touseef Sadiq, Jiale Xiong, Muhammad Awais, Uzair Aslam Bhatti, Roohallah Alizadehsani, Juan Manuel Gorriz

“…To overcome these challenges, the approach proposed incorporates advanced techniques such as convolutional neural networks (CNNs), an improved differential evolution (DE) algorithm for pre‐training, and a reinforcement learning (RL)‐based model for training. …”
Get full text

An Automated Algorithm for Obstructive Sleep Apnea Detection Using a Wireless Abdomen-Worn Sensor by Thi Hang Dang, Seong-mun Kim, Min-seong Choi, Sung-nam Hwan, Hyung-ki Min, Franklin Bien

“…Wireless wearable devices have emerged as promising tools for OSA screening and follow-up. This study introduces a novel automated algorithm for detecting OSA using abdominal movement signals and acceleration data collected by a wireless abdomen-worn sensor (Soomirang). …”
Get full text

Digital innovation in healthcare: quantifying the impact of digital sepsis screening tools on patient outcomes—a multi-site natural experiment by Sarah Tonkin-Crine, Graham Cooke, Anthony C Gordon, Anthony Gordon, Shashank Patil, Runa Lazzarino, Andrew Brent, Kate Honeyford, Céire E Costelloe, Anne Kinderlerer, John Welch, Peter Ghazal, Claire Burnett, Alf Timney, Andrew Jonathan Brent, Cerie Costelloe, Pippa Goodman Ben Glampson

“…We evaluated the impact of sepsis screening tools on in-patient 30-day mortality across four multi-hospital NHS Trusts, each using a different algorithm for early detection of sepsis.Methods Using quasi-experimental methods, we investigated the impact of the screening tools. …”
Get full text

Open-Circuit Fault Diagnosis Method of Energy Storage Converter Based on MFCC Feature Set by Bin YU, Xingrong SONG, Ting ZHOU, Linbo LUO, Hui LI, Liang CHE

“…Secondly, a fault state diagnosis model based on the Bayesian optimization algorithm (BOA) and one-dimensional convolutional neural network (CNN-1D) is constructed with a low-dimensional fault feature set as an input. …”
Get full text

The Development of a Brief but Comprehensive Therapeutic Assessment Protocol for the Screening and Support of Youth in the Community to Address the Youth Mental Health Crisis by Margaret Danielle Weiss, Eleanor Castine Richards, Danta Bien-Aime, Taylor Witkowski, Peyton Williams, Katie E. Holmes, Dharma E. Cortes, Miriam C. Tepper, Philip S. Wang, Rajendra Aldis, Nicholas Carson, Benjamin Le Cook

“…Objective: The objective of this study was to explore the acceptability and feasibility of a therapeutic assessment protocol for the Screening and Support of Youth (SASY). SASY provides brief but comprehensive community-based screening and support for diverse youth in the community. …”
Get full text

The True Shortest Path of Obstacle Grid Graph Is Solved by SGP Vertex Extraction and Filtering Algorithm by Yijie Zhang, Jizhou Chen

“…Through various experiments, the shortest path length searched by the SGPVEFA proposed in this paper can be used to search for the real shortest path, and it also has advantages in comparison with recent new algorithms. With the increase in map scale and obstacle rate, the advantages of this path algorithm are more significant.…”
Get full text

Machine vision-based detection of key traits in shiitake mushroom caps by Jiuxiao Zhao, Jiuxiao Zhao, Wengang Zheng, Wengang Zheng, Yibo Wei, Yibo Wei, Qian Zhao, Qian Zhao, Jing Dong, Jing Dong, Xin Zhang, Xin Zhang, Mingfei Wang, Mingfei Wang

“…Finally,M3 group using GWO_SVM algorithm achieved optimal performance among six mainstream machine learning models tested with an R²value of 0.97 and RMSE only at 0.038 when comparing predicted values with true values. …”
Get full text

HERGAI: an artificial intelligence tool for structure-based prediction of hERG inhibitors by Viet-Khoa Tran-Nguyen, Ulrick Fineddie Randriharimanamizara, Olivier Taboureau

“…Multiple structure-based artificial intelligence (AI) binary classifiers for predicting hERG inhibitors were developed, employing, as descriptors, protein–ligand extended connectivity (PLEC) fingerprints fed into random forest, extreme gradient boosting, and deep neural network (DNN) algorithms. Our best-performing model, a stacking ensemble classifier with a DNN meta-learner, achieved state-of-the-art classification performance, accurately identifying 86% of molecules having half-maximal inhibitory concentrations (IC50s) not exceeding 20 µM in our challenging test set, including 94% of hERG blockers whose IC50s were not greater than 1 µM. …”
Get full text

One scan, multiple insights: A review of AI-Driven biomarker imaging and composite measure detection in lung cancer screening by Saher Verma, Leander Maerkisch, Alberto Paderno, Leonard Gilberg, Bianca Teodorescu, Mathias Meyer

“…Through an extensive review of current literature sourced from PubMed, the review highlights advancements in AI-driven biomarker detection, evaluates the potential benefits of a broader diagnostic approach, and addresses challenges related to model standardization and clinical integration. AI-enhanced LDCT screening shows significant promise in augmenting routine screenings, potentially advancing early detection, comprehensive patient assessments, and overall disease management across multiple health conditions.…”
Get full text

Analysis and prediction of infectious diseases based on spatial visualization and machine learning by Yunyun Cheng, Yanping Bai, Jing Yang, Xiuhui Tan, Ting Xu, Rong Cheng

“…Finally, a multi algorithm fusion learning model based on stacking technology is proposed to address the problem of poor generalization ability of single algorithm models in prediction; Furthermore, radial basis function network (RBF) was used as a two-level meta learner to fuse the above models, and particle swarm optimization (PSO) was used to optimize RBF parameters to reduce generalization error. …”
Get full text

GRK5 as a Novel Therapeutic Target for Immune Evasion in Testicular Cancer: Insights from Multi-Omics Analysis and Immunotherapeutic Validation by Congcong Xu, Qifeng Zhong, Nengfeng Yu, Xuqiang Zhang, Kefan Yang, Hao Liu, Ming Cai, Yichun Zheng

Get full text

Development and evaluation of statistical and artificial intelligence approaches with microbial shotgun metagenomics data as an untargeted screening tool for use in food production by Kristen L. Beck, Niina Haiminen, Akshay Agarwal, Anna Paola Carrieri, Matthew Madgwick, Jennifer Kelly, Victor Pylro, Ban Kawas, Martin Wiedmann, Erika Ganda

Get full text

In Silico Evaluation of Algorithm-Based Clinical Decision Support Systems: Protocol for a Scoping Review by Michael Dorosan, Ya-Lin Chen, Qingyuan Zhuang, Shao Wei Sean Lam

“…MethodsWe propose a scoping review protocol that follows an enhanced Arksey and O’Malley framework and PRISMA-ScR (Preferred Reporting Items for Systematic Reviews and Meta-Analyses Extension for Scoping Reviews) guidelines to investigate the scope and research gaps in the in silico evaluation of algorithm-based CDS models—specifically CDS decision-making end points and objectives, evaluation metrics used, and simulation paradigms used to assess potential impacts. …”
Get full text

Socially excluded employees prefer algorithmic evaluation to human assessment: The moderating role of an interdependent culture by Yoko Sugitani, Taku Togawa, Kosuke Motoki

“…Further, this effect was mediated by perceived fairness of AI assessment, and more evident in an interdependent (but not independent) self-construal culture. …”
Get full text

Denoising Algorithm for High-Resolution and Large-Range Phase-Sensitive SPR Imaging Based on PFA by Zihang Pu, Xuelin Wang, Wanwan Chen, Zhexian Liu, Peng Wang

“…The algorithm demonstrates 57% instrumental noise reduction and achieves 1.51 × 10⁻⁶ RIU resolution (1.333–1.393 RIU range). …”
Get full text

Ensemble Algorithm Based on Gene Selection, Data Augmentation, and Boosting Approaches for Ovarian Cancer Classification by Zne-Jung Lee, Jing-Xun Cai, Liang-Hung Wang, Ming-Ren Yang

“…Data augmentation allows researchers to expand the dataset, providing a larger and more diverse set of examples for model training. …”
Get full text

Parametric Optimization and Assessment of Modern Heritage Shading Screen for a Mid-Rise Building in Arid Climate: Modernizing Traditional Designs by Anwar Ahmad, Lindita Bande, Waleed Ahmed, Kheira Tabet Aoul, Mukesh Jha

Get full text

DATA MINING ALGORITHMS FOR PREDICTION OF STUDENT TEACHERS’ PERFORMANCE IN ICT: A SYSTEMATIC LITERATURE REVIEW by Juma Habibu Shindo, Mohamedi Mohamedi Mjahidi, Mohamed Dewa Waziri

“…On November 6, 2022, about 196 scholarly articles were downloaded from three digital libraries: Science Direct (38), ACM Digital Library (72), IEEE Xplore (51), and 35 from the Google Scholar search engine. After screening and eligibility checking, 28 scholarly articles were selected and analysed through content analysis in terms of the most commonly used algorithms, the year of publication, the study purposes, and the accuracy performance metrics. …”
Get full text

Evaluation Algorithm of Ecological Energy-Saving Effect of Green Buildings Based on Gray Correlation Degree by Chongyu Wang

“…The environmental protection attribute and energy-saving level of green buildings cannot be described by the traditional evaluation model. In order to solve the above problems, a new ecological energy-saving effect evaluation algorithm of green buildings based on gray correlation degree is designed. …”
Get full text