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Comput Biol Med
January 2025
Emerging Technologies Research Lab (ETRL), College of Computer Science and Information Systems, Najran University, Najran, 61441, Saudi Arabia; Department of Computer Science, College of Computer Science and Information Systems, Najran University, Najran, 61441, Saudi Arabia. Electronic address:
- Brain tumors (BT), both benign and malignant, pose a substantial impact on human health and need precise and early detection for successful treatment. Analysing magnetic resonance imaging (MRI) image is a common method for BT diagnosis and segmentation, yet misdiagnoses yield effective medical responses, impacting patient survival rates. Recent technological advancements have popularized deep learning-based medical image analysis, leveraging transfer learning to reuse pre-trained models for various applications.
View Article and Find Full Text PDFJ Chem Theory Comput
January 2025
State Key Laboratory of Physical Chemistry of Solid Surfaces and Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, P. R. China.
Molecular docking is a crucial technique for elucidating protein-ligand interactions. Machine learning-based docking methods offer promising advantages over traditional approaches, with significant potential for further development. However, many current machine learning-based methods face challenges in ensuring the physical plausibility of generated docking poses.
View Article and Find Full Text PDFACS Appl Mater Interfaces
January 2025
School of Materials Science and Engineering, Henan Key Laboratory of Advanced Nylon Materials and Application, Zhengzhou University, Zhengzhou 450001, China.
Piezoelectric polymer textiles offer distinct advantages in the fabrication of wearable nanogenerators (NGs). One effective strategy to enhance the output capacity of NGs is to modulate the piezoelectric performance of the textiles. This paper focuses on further improving the piezoelectric properties of nylon-11,11 textiles through post-drawing and annealing treatments.
View Article and Find Full Text PDFJ Chem Inf Model
January 2025
Department of Chemical Engineering, National Taiwan University, No. 1, Section 4, Roosevelt Road, Taipei 10617, Taiwan.
Accurately predicting activation energies is crucial for understanding chemical reactions and modeling complex reaction systems. However, the high computational cost of quantum chemistry methods often limits the feasibility of large-scale studies, leading to a scarcity of high-quality activation energy data. In this work, we explore and compare three innovative approaches (transfer learning, delta learning, and feature engineering) to enhance the accuracy of activation energy predictions using graph neural networks, specifically focusing on methods that incorporate low-cost, low-level computational data.
View Article and Find Full Text PDFAnal Chem
January 2025
School of Life Sciences, Key Laboratory of Space Bioscience & Biotechnology, Northwestern Polytechnical University, Xi'an 710072, China.
Lymphoma is a malignant cancer characterized by a rapidly increasing incidence, complex etiology, and lack of obvious early symptoms. Efficient theranostics of lymphoma is of great significance in improving patient outcomes, empowering informed decision-making, and driving medical innovation. Herein, we developed a multifunctional nanoplatform for precise optical imaging and therapy of lymphoma based on a new photosensitizer (1-oxo-1-benzoo[de]anthracene-2,3-dicarbonitrile-triphenylamine (OBADC-TPA)).
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