AIMC Journal:
bioRxiv

Showing 2491 to 2500 of 4979 articles

Macro-Equi-Diff (MED): Scaffold-based Macrocycles Generation Using Equivariant Diffusion

bioRxiv Feb 6, 2026
Macrocyclic compounds are essential in drug discovery as they can modulate protein-protein interactions and enhance selectivity. Their structural complexity enables access to molecular diversity beyond traditional small molecules; however, designing ...
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Model Ensembling and Machine Learning Approaches to Predict the First Dose of Amoxicillin in Intensive Care

bioRxiv Feb 5, 2026
A priori model informed precision dosing (MIPD) recommends an appropriate first dose based solely on the covariates of the patient enabling faster target attainment without required concentration measurements. Population pharmacokinetic model ensembl...
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Automated Ventricle Assessment via Three-dimensional Anatomical Reconstruction (AVA-TAR): a computational toolkit for autonomous lateral ventricle assessment in preclinical hydrocephalus models

bioRxiv Feb 5, 2026
Introduction: Current workflows for studying hydrocephalus in rodent models rely on manual segmentation or qualitative assessment of ventricular size on small animal magnetic resonance imaging, which are both inefficient and prone to variability. Atl...
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Predicting Post-Stroke Aphasia Speech Performance from Multimodal Data with Explainable Machine Learning

bioRxiv Feb 5, 2026
Aphasia, an acquired language deficit, is the most common post-stroke focal cognitive impairment, and roughly 60% cases become chronic (duration >6 months). Aphasia therapies could be optimized if clinicians could make personalized predictions of how...
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A Shape Analysis Algorithm Quantifies Spatial Morphology and Context of 2D to 3D Cell Culture for Correlating Novel Phenotypes with Treatment Resistance

bioRxiv Feb 5, 2026
Numerous studies have shown that the morphological phenotype of a cell or organoid correlates with its susceptibility to anti-cancer agents. However, traditional methods of measuring phenotype rely on spatial metrics such as area, volume, perimeter, ...
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Intrinsic properties ensure reliable attractor dynamics in learned neural assemblies embedded within noisy, asynchronous networks

bioRxiv Feb 5, 2026
Neural representations rely on the ability of neuronal assemblies to display organized spiking patterns, despite being embedded within noisy networks. These structured patterns arise from attractor dynamics due to activity reverberation promoted by l...
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Prediction of protein-carbohydrate binding sites from protein primary sequence

bioRxiv Feb 5, 2026
Background: A protein is a large complex macromolecule that has a crucial role in performing most of the work in cells and tissues. It is made up of one or more long chains of amino acid residues. Another important biomolecule, after DNA and protein,...
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Majority-LCL: Towards Malaria Cell Detection using Label Contrastive Learning and Majority voting Ensembling

bioRxiv Feb 5, 2026
Malaria is a contagious disease caused by Plasmodium, a group of single-celled parasites, and is most commonly transmitted by an infected female Anopheles mosquito. More than 40 percent of the global population is at risk, with approximately 219 mill...
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Scalp microbiome differences in subjects with self-reported hair loss: A quantitative approach to microbial dysbiosis

bioRxiv Feb 5, 2026
Objective: Hair loss is a common issue that affects a large proportion of the population, leading to lower self-confidence and quality of life. Microbial dysbiosis of the scalp has been shown to be associated with several different disorders leading ...
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NeuroConText: Contrastive Learning for Neuroscience Meta-Analysis with Rich Text Representation

bioRxiv Feb 5, 2026
Brain meta-analysis is the common way to gather information about human brain function across the existing literature in order to formulate hypotheses and contextualize new findings. However, automated meta-analysis tools face challenges such as inco...
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