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Tuberculosis (TB) is a severe disease caused by that poses a significant threat to human health. The emergence of drug-resistant strains has made the global fight against TB even more challenging. Antituberculosis peptides (ATPs) have shown promising results as a potential treatment for TB. However, conventional wet lab-based approaches to ATP discovery are time-consuming and costly and often fail to discover peptides with desired properties. To address these challenges, we propose a novel machine learning-based framework called ATPfinder that can significantly accelerate the discovery of ATP. Our approach integrates various efficient peptide descriptors and utilizes the deep forest algorithm to construct the model. This neural network-like cascading structure can effectively process and mine features without complex hyperparameter tuning. Our experimental results show that ATPfinder outperforms existing ATP prediction tools, achieving state-of-the-art performance with an accuracy of 89.3% and an MCC of 0.70. Moreover, our framework exhibits better robustness than baseline algorithms commonly used for other sequence analysis tasks. Additionally, the excellent interpretability of our model can assist researchers in understanding the critical features of ATP. Finally, we developed a downloadable desktop application to simplify the use of our framework for researchers. Therefore, ATPfinder can facilitate the discovery of peptide drugs and provide potential solutions for TB treatment. Our framework is freely available at https://github.com/lantianyao/ATPfinder/ (data sets and code) and https://awi.cuhk.edu.cn/dbAMP/ATPfinder.html (software).
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http://dx.doi.org/10.1021/acs.analchem.3c04196 | DOI Listing |
BMC Psychiatry
September 2025
Department of Cognitive Neuroscience, Faculty of Biology, Bielefeld University, Bielefeld, Germany.
Obsessive-compulsive disorder (OCD) is a chronic and disabling condition affecting approximately 3.5% of the global population, with diagnosis on average delayed by 7.1 years or often confounded with other psychiatric disorders.
View Article and Find Full Text PDFJ Phys Chem Lett
September 2025
School of Mathematics and Computer Science, Gannan Normal University, Ganzhou, 341000, China.
This study integrates machine learning (ML) and density functional theory (DFT) to systematically investigate the oxygen electrocatalytic activity of two-dimensional (2D) TM(HXBHYB) (HX/YB = HIB (hexaaminobenzene), HHB (hexahydroxybenzene), HTB (hexathiolbenzene), and HSB (hexaselenolbenzene)) metal-organic frameworks (MOFs). By coupling transition metals (TM) with the above ligands, stable 2D TM(HXBHYB)@MOF systems were constructed. The Random Forest Regression (RFR) model outperformed the others, revealing the intrinsic relationship between the physicochemical properties of 2D TM(HXBHYB)@MOF and their ORR/OER overpotentials.
View Article and Find Full Text PDFJ Food Sci
September 2025
Faculty of Computing, Federal University of Uberlandia, Uberlândia, Brazil.
The coffee roasting process is a critical factor in determining the final quality of the beverage, influencing its flavour, aroma, and acidity. Traditionally, roast-level classification has relied on manual inspection, which is time-consuming, subjective, and prone to inconsistencies. However, advancements in machine learning (ML) and computer vision, particularly convolutional neural networks (CNNs), have shown great promise in automating and improving the accuracy of this process.
View Article and Find Full Text PDFFront Oncol
August 2025
Department of Nuclear Medicine, General Hospital of Northern Theater Command, Shenyang, Liaoning, China.
Objective: To develop a deep learning radiomics(DLR)model integrating PET/CT radiomics, deep learning features, and clinical parameters for early prediction of bone oligometastases (≤5 lesions) in breast cancer.
Methods: We retrospectively analyzed 207 breast cancer patients with 312 bone lesions, comprising 107 benign and 205 malignant lesions, including 89 lesions with confirmed bone metastases. Radiomic features were extracted from computed tomography (CT), positron emission tomography (PET), and fused PET/CT images using PyRadiomics embedded in the uAI Research Portal.
ACS Omega
September 2025
Division of Pharmaceutical Chemistry, Faculty of Pharmaceutical Sciences, Khon Kaen University, Khon Kaen 40002, Thailand.
Dengue virus remains a significant global health threat, imposing a substantial disease burden on nearly half of the world's population. The urgent need for effective antiviral therapeutics, including therapeutic peptides targeting the Dengue virus, is critical in the current healthcare landscape. However, the availability of anti-Dengue peptides (ADPs) data remains limited in existing data sets, posing a challenge for computational modeling and discovery.
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