AIMC Topic: Deep Learning

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Design of Carbon Nanotube Inhibitors for Main Proteinase of SARS-CoV-2: A Combined Deep Learning and Molecular Dynamics Simulation Study.

The journal of physical chemistry. B
The rapid development of machine learning (ML) and deep learning (DL) methods provides new opportunities for innovative drug discovery. While these techniques are widely used in docking organic molecules (drugs) with protein, an evaluation of the per...

Deep Learning-Based Continuous QT Monitoring to Identify High-Risk Prolongation Events After Class III Antiarrhythmic Initiation.

Circulation
BACKGROUND: Drug-induced QT prolongation after successful inpatient loading of class III antiarrhythmics may occur during routine outpatient care. Insertable cardiac monitors offer continuous signals but are limited by single-lead configuration. We h...

MSformer: A Meta-Structure Based Interpretable Framework for Representation Learning of Natural Products.

Analytical chemistry
Natural products (NPs) are a treasure trove of drug discovery, yet their structural complexity and extreme data scarcity critically hinder AI-driven exploration. To address this challenge, we present MSformer, a transformer-based architecture that br...

Integrating Model-Based Reconstruction and Deep Learning for Accelerating Mass Spectrometry Imaging.

Analytical chemistry
Mass spectrometry imaging (MSI) is a powerful multiplexed biochemical imaging modality. It relies on raster scanning for localized data acquisition, which can be time-consuming, limiting applications of high-resolution tissue mapping and 3D reconstru...

Dual-arc VMAT machine parameter optimization for localized prostate cancer using deep reinforcement learning.

Physics in medicine and biology
To develop and evaluate a deep reinforcement learning (RL) framework for rapid and automatic machine parameter optimization of volumetric modulated arc therapy (VMAT) treatment plans for localized prostate cancer.A multi-task policy network combining...

Association of deep learning-derived optic nerve morphology with Parkinson's disease and drug-induced Parkinsonism: Findings from the LIFE Study.

Journal of the neurological sciences
BACKGROUND: There is a growing need for alternative imaging measures to better understand the neurodegenerative pathology of Parkinson's disease and related conditions, such as drug-induced Parkinsonism. This study investigated the link between optic...

The Use of DeepQSAR Models for the Discovery of Peptides with Enhanced Antimicrobial and Antibiofilm Potential.

Journal of chemical information and modeling
Increasing concerns regarding prolonged antibiotic usage have spurred the search for alternative treatments. Antimicrobial peptides (AMPs), first discovered in the 1980s, have exhibited significant potential against a broad range of bacteria. Short-s...

Treatment decision support for esophageal cancer based on PET/CT data using deep learning.

BMC medical informatics and decision making
BACKGROUND: Making precise treatment decisions in esophageal cancer is essential for enhancing patient outcomes and avoiding overtreatment. Traditional approaches relying on special features or shallow learning models often fail to capture the comple...

ResNet-EfficientNet powered framework for high-precision cough-based classification of infectious diseases.

Scientific reports
COVID-19 is a extremely contagious disease triggered by the SARS-CoV-2 virus which mostly affects the human breathing system. Furthermore, the COVID-19 was emerged in late 2019 and escalated rapidly into a global pandemic which impacted health and ec...

Transformer-based multiclass segmentation pipeline for basic kidney histology.

Scientific reports
Current applications of deep learning in renal pathology focused on anatomical structures with morphology, yet little research has focused on the performance of models, such as versatility, in regions with severe kidney damage. In this study, we expl...