AIMC Topic: Machine Learning

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Dataset resulting from the user study on comprehensibility of explainable AI algorithms.

Scientific data
This paper introduces a dataset that is the result of a user study on the comprehensibility of explainable artificial intelligence (XAI) algorithms. The study participants were recruited from 149 candidates to form three groups representing experts i...

AbEpiTope-1.0: Improved antibody target prediction by use of AlphaFold and inverse folding.

Science advances
B cell epitope prediction tools are crucial for designing vaccines and disease diagnostics. However, predicting which antigens a specific antibody binds to and their exact binding sites (epitopes) remains challenging. Here, we present AbEpiTope-1.0, ...

Fecal gut microbiota and amino acids as noninvasive diagnostic biomarkers of Pediatric inflammatory bowel disease.

Gut microbes
BACKGROUND AND AIMS: Fecal calprotectin (FCP) has limited specificity as diagnostic biomarker of pediatric inflammatory bowel disease (IBD), leading to unnecessary invasive endoscopies. This study aimed to develop and validate a fecal microbiota and ...

On Selecting Robust Approaches for Learning Predictive Biomarkers in Metabolomics Data Sets.

Analytical chemistry
Metabolomics, the study of small molecules within biological systems, offers insights into metabolic processes and, consequently, holds great promise for advancing health outcomes. Biomarker discovery in metabolomics represents a significant challeng...

Noise-Consistent Hypergraph Autoencoder Based on Contrastive Learning for Cancer ceRNA Association Prediction in Complex Biological Regulatory Networks.

Journal of chemical information and modeling
Competitive endogenous RNA (ceRNA) regulatory networks (CENA) have advanced our understanding of noncoding RNAs' roles in complex diseases, providing a theoretical basis for disease mechanisms. Existing ceRNA-disease association prediction methods ar...

Generative prediction of causal gene sets responsible for complex traits.

Proceedings of the National Academy of Sciences of the United States of America
The relationship between genotype and phenotype remains an outstanding question for organism-level traits because these traits are generally . The challenge arises from complex traits being determined by a combination of multiple genes (or loci), whi...

A multimodal dataset for coronary microvascular disease biomarker discovery.

Scientific data
Coronary microvascular disease (CMD), particularly prevalent among women, is associated with increased morbidity and mortality, making clinical screening vital for effective management. However, limited publicly available screening-level data hinders...

Automated identification of serotype using MALDI-TOF mass spectrometry and machine learning techniques.

Journal of clinical microbiology
UNLABELLED: serotyping is essential for epidemiological studies and clinical treatment guidance. However, traditional serological agglutination methods are time-consuming, technically complex, and difficult to adopt at scale. Matrix-assisted laser d...

Machine Learning-Enhanced Chemiresistive Sensors for Ultra-Sensitive Detection of Methanol Adulteration in Alcoholic Beverages.

ACS sensors
Methanol poisoning poses significant health risks, particularly in less developed countries, where adulterated alcoholic beverages often lead to severe morbidity and mortality. Current diagnostic methods, such as gas-liquid chromatography and blood g...

Multivariate and Machine Learning-Derived Virtual Staining and Biochemical Quantification of Cancer Cells through Raman Hyperspectral Imaging.

Analytical chemistry
Advances in virtual staining and spatial omics have revolutionized our ability to explore cellular architecture and molecular composition with unprecedented detail. Virtual staining techniques, which rely on computational algorithms to map molecular ...