AIMC Topic: Computer Simulation
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Prediction of reproductive and developmental toxicity using an attention and gate augmented graph convolutional network.
Scientific reports
May 25, 2025
Due to the diverse molecular structures of chemical compounds and their intricate biological pathways of toxicity, predicting their reproductive and developmental toxicity remains a challenge. Traditional Quantitative Structure-Activity Relationship ...
Novel Computational Approaches in the Discovery and Identification of Bioactive Peptides: A Bioinformatics Perspective.
Journal of agricultural and food chemistry
May 24, 2025
Bioactive peptides are protein molecules known for their specific biological functions, offering promising applications across various fields including medicine, food, and cosmetics. Traditional approaches to the investigation of bioactive peptides t...
Novel Antimicrobials from Computational Modelling and Drug Repositioning: Potential Strategies to Increase Therapeutic Arsenal Against Antimicrobial Resistance.
Molecules (Basel, Switzerland)
May 24, 2025
Antimicrobial resistance (AMR) is one of the most significant public health threats today. The need for new antimicrobials against multidrug-resistant infections is growing. The development of computational models capable of predicting new drug-targe...
Detecting eavesdropping nodes in the power Internet of Things based on Kolmogorov-Arnold networks.
PloS one
May 23, 2025
The rapid proliferation of the Power Internet of Things (PIoT) has given rise to severe network security threats, with eavesdropping attacks emerging as a paramount concern. Traditional eavesdropping detection methods struggle to adapt to complex and...
Consensus synchronization via quantized iterative learning for coupled fractional-order time-delayed competitive neural networks with input sharing.
Neural networks : the official journal of the International Neural Network Society
May 22, 2025
This paper presents the D-type distributed iterative learning control protocol to synchronize fractional-order competitive neural networks with time delay within a finite time frame. Firstly, the input sharing strategy of such desired competitive neu...
Automated inference of disease mechanisms in patient-hiPSC-derived neuronal networks.
Communications biology
May 20, 2025
Human induced pluripotent stem cells (hiPSCs)-derived neuronal networks on multi-electrode arrays (MEAs) are a powerful tool for studying neurological disorders. The electric activity patterns of these networks differ between healthy and patient-deri...
Internal sensory models allow for balance control using muscle spindle acceleration feedback.
Neural networks : the official journal of the International Neural Network Society
May 16, 2025
Motor control requires sensory feedback, and the nature of this feedback has implications for the tasks of the central nervous system (CNS): for an approximately linear mechanical system (e.g., a freely standing person, a rider on a bicycle), if the ...
Quantifying urban land cover imperviousness as input for flood simulation using machine learning: South African case study.
Water science and technology : a journal of the International Association on Water Pollution Research
May 16, 2025
The imperviousness of urban surfaces is an important parameter in simulating urban hydrological responses, but quantifying imperviousness can be challenging and time-consuming. In response, this study presents a new framework to efficiently estimate ...
Multi-criteria decision making and its application to in silico discovery of vaccine candidates for Toxoplasma gondii.
Vaccine
May 15, 2025
Vaccine discovery against eukaryotic parasites is not trivial and few exist. Reverse vaccinology is an in silico vaccine discovery approach, designed to identify vaccine candidates from the thousands of protein sequences encoded by a target genome. P...
Computational modelling of biological systems now and then: revisiting tools and visions from the beginning of the century.
Philosophical transactions. Series A, Mathematical, physical, and engineering sciences
May 8, 2025
Since the turn of the millennium, computational modelling of biological systems has evolved remarkably and sees matured use spanning basic and clinical research. While the topic of the peri-millennial debate about the virtues and limitations of 'redu...
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