Journal of chemical information and modeling
Jul 16, 2025
Accurate retention time () prediction models can significantly improve liquid chromatography-mass spectrometry (LC-MS) data analysis widely used in chemical synthesis. As hundreds of thousands of syntheses are performed annually at Enamine, a large a...
BACKGROUND: The practice of medicine has evolved significantly during the past decade, with the emergence of Machine Learning (ML) that offers the opportunity of personalized patient-tailored care. However, ML models still face some challenges when c...
BACKGROUND: Inferring Gene Regulatory Networks (GRNs) from gene expression data is a pivotal challenge in systems biology. Most existing methods fail to consider the skewed degree distribution of genes, complicating the application of directed graph ...
To develop a high-performance convolutional neural network (CNN) model for plant image classification automatically, we propose a neural architecture search (NAS) method tailored to multifunctional cells (MFC), termed MFC-NAS. Initially, a search spa...
This study explores the impact mechanism of college students' sports behavior on their well-being by constructing an Artificial Neural Network (ANN) model. The study employs an ANN architecture that combines a Long Short-Term Memory (LSTM) network an...
Microscopic-Diffraction Imaging Flow Cytometry (MDIFC) is a high-throughput, stain-free technology that captures paired microscopic and diffraction images of cellular events, utilizing machine learning for the classification of cell subpopulations. H...
Precise classification and detection of apple diseases are essential for efficient crop management and maximizing yield. This paper presents a fine-tuned EfficientNet-B0 convolutional neural network (CNN) for the automated classification of apple lea...
BACKGROUND: Currently, the application of convolutional neural networks (CNNs) in artificial intelligence (AI) for medical imaging diagnosis has emerged as a highly promising tool. In particular, AI-assisted diagnosis holds significant potential for ...
Ultrasound imaging plays an important role in fetal growth and maternal-fetal health evaluation, but due to the complicated anatomy of the fetus and image quality fluctuation, its interpretation is quite challenging. Although deep learning include Co...
Accurate identification of Oudemansiella raphanipes growth stages is crucial for understanding its development and optimizing cultivation. However, deep learning methods for this task remain unexplored. This paper introduces OR-FCOS, an enhanced full...
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