AIMC Topic: Humans

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3d electron cloud descriptors for enhanced QSAR modeling of anti-colorectal cancer compounds.

Journal of computer-aided molecular design Oct 24, 2025
To address limitations of conventional Quantitative Structure-Activity Relationship (QSAR) descriptors in capturing molecular electronic and spatial complexity, we developed a high-dimensional framework using three-dimensional electron density featur...
Electrons Quantitative Structure-Activity Relationship Antineoplastic Agents Density Functional Theory Models, Molecular Humans Machine Learning Colorectal Neoplasms
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μOR-ligand: target-aware view-based hybrid feature selection for μ-opioid receptor ligand functional classification.

Journal of computer-aided molecular design Oct 24, 2025
Understanding active functional class (agonist vs antagonist) at the human μ-opioid receptor (μOR) is critical for drug discovery and safety assessment. While recent machine learning models such as ExtraTrees (ET) and message-passing neural networks ...
ROC Curve Ligands Receptors, Opioid, mu Humans Neural Networks, Computer Machine Learning Drug Discovery
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Kideraspa: designing variants of staphylococcal protein a based on a diffusion model with kidera factors.

Journal of computer-aided molecular design Oct 24, 2025
The interaction between staphylococcal protein A (SpA) and human immunoglobulin G (IgG) is pivotal in treating diseases such as cancer, inflammation, infections, and autoimmune disorders. However, acquiring natural SpA variants is labor-intensive, tr...
Humans Immunoglobulin G Deep Learning Binding Sites Protein Binding Protein Engineering Models, Molecular Staphylococcal Protein A Mutation
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MobileDANet integrating transfer learning and dynamic attention for classifying multi target histopathology images with explainable AI.

Scientific reports Oct 24, 2025
Cancer is a life-threatening disease that affects several human lives all over the world. The classification of cancer severities utilizing histopathological images is vital for effective and timely diagnosis. This always creates a demandable require...
Image Processing, Computer-Assisted Colonic Neoplasms Image Interpretation, Computer-Assisted Kidney Neoplasms Carcinoma, Renal Cell Breast Neoplasms Diagnosis, Computer-Assisted Deep Learning Humans Algorithms Female
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Prediction of advanced chronic kidney disease through retinal fundus images by deep learning.

Scientific reports Oct 24, 2025
This study was developed and evaluated deep learning model for detecting chronic kidney disease (CKD) by retinal fundus images. This study included 42,963 clinical visits from 17,442 patients who underwent retinal fundus examination between October 1...
Humans Renal Insufficiency, Chronic Glomerular Filtration Rate Fundus Oculi Retina Male Middle Aged Deep Learning Female Aged Adult
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Identification of hub necroptosis-related targets and discovery of potential natural inhibitors in ulcerative colitis based on bioinformatics and computer-aided drug design.

Journal of computer-aided molecular design Oct 24, 2025
Ulcerative colitis (UC) is a chronic inflammatory bowel disease with a complex pathogenesis and limited treatment options. Recently, necroptosis has been found to play a significant role in UC. This study aimed to investigate necroptosis-related mech...
Machine Learning Molecular Docking Simulation Colitis, Ulcerative Humans Single-Cell Analysis Computer-Aided Design Necroptosis Computational Biology Drug Design Molecular Dynamics Simulation Biological Products Protein Kinases Drug Discovery
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Artificial intelligence for predicting depression anxiety and stress using psychometric data.

Scientific reports Oct 24, 2025
Mental health is a crucial aspect of overall well-being, yet it is often overlooked due to stigma and limited accessibility to care. This study investigates the ability of artificial intelligence (AI) to predict common psychological conditions, depre...
Young Adult Adult Male Machine Learning Female Aged Surveys and Questionnaires Psychometrics Adolescent Stress, Psychological Middle Aged Anxiety Depression Humans Artificial Intelligence Support Vector Machine Bayes Theorem
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Enhanced brain tumor segmentation in medical imaging using multi-modal multi-scale contextual aggregation and attention fusion.

Scientific reports Oct 24, 2025
Accurate segmentation of brain tumors from multi-modal MRI scans is critical for diagnosis, treatment planning, and disease monitoring. Tumor heterogeneity and inter-image variability across MRI sequences pose challenging problems to state-of-the-art...
Algorithms Image Processing, Computer-Assisted Image Interpretation, Computer-Assisted Humans Magnetic Resonance Imaging Neuroimaging Brain Multimodal Imaging Brain Neoplasms
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A deep learning based framework for music-synchronized dance choreography with pose quantization and motion prediction for activity recognition.

Scientific reports Oct 24, 2025
The ability to generate dynamic, expressive dance routines that adapt to various musical compositions has broad applications in activity recognition, performance arts, entertainment, virtual reality, and interactive media, offering new avenues for cr...
Video Recording Music Dancing Humans Algorithms Deep Learning Motion
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Cervical cancer prediction using deformable kernel darknet-53 and depth wise separable convolutional neural networks.

Scientific reports Oct 24, 2025
The prediction of Cervical Cancer (CC) remains a tough task due to diverse clinical variations and unbalanced data distribution, while good-quality data remains limited. Early CC signs tend to lack distinct characteristics, which makes their precise ...
Female Uterine Cervical Neoplasms Convolutional Neural Networks Image Processing, Computer-Assisted Humans Neural Networks, Computer Algorithms
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