AIMC Topic: Machine Learning

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Enhancing Top-Down Proteomics Data Analysis by Combining Deconvolution Results through a Machine Learning Strategy.

Journal of the American Society for Mass Spectrometry
Top-down mass spectrometry (MS) is a powerful tool for the identification and comprehensive characterization of proteoforms arising from alternative splicing, sequence variation, and post-translational modifications. However, the complex data set gen...

Predicting the short-term success of human influenza virus variants with machine learning.

Proceedings. Biological sciences
Seasonal influenza viruses are constantly changing and produce a different set of circulating strains each season. Small genetic changes can accumulate over time and result in antigenically different viruses; this may prevent the body's immune system...

Machine Learning Driven Analysis of Large Scale Simulations Reveals Conformational Characteristics of Ubiquitin Chains.

Journal of chemical theory and computation
Understanding the conformational characteristics of protein complexes in solution is crucial for a deeper insight in their biological function. Molecular dynamics simulations performed on high performance computing plants and with modern simulation t...

DeepMicro: deep representation learning for disease prediction based on microbiome data.

Scientific reports
Human microbiota plays a key role in human health and growing evidence supports the potential use of microbiome as a predictor of various diseases. However, the high-dimensionality of microbiome data, often in the order of hundreds of thousands, yet ...

A Machine Learning Approach for High-Dimensional Time-to-Event Prediction With Application to Immunogenicity of Biotherapies in the ABIRISK Cohort.

Frontiers in immunology
Predicting immunogenicity for biotherapies using patient and drug-related factors represents nowadays a challenging issue. With the growing ability to collect massive amount of data, machine learning algorithms can provide efficient predictive tools....

Biohorology and biomarkers of aging: Current state-of-the-art, challenges and opportunities.

Ageing research reviews
The aging process results in multiple traceable footprints, which can be quantified and used to estimate an organism's age. Examples of such aging biomarkers include epigenetic changes, telomere attrition, and alterations in gene expression and metab...

Improving energy expenditure estimates from wearable devices: A machine learning approach.

Journal of sports sciences
A means of quantifying continuous, free-living energy expenditure (EE) would advance the study of bioenergetics. The aim of this study was to apply a non-linear, machine learning algorithm (random forest) to predict minute level EE for a range of act...

Radiomics in gliomas: clinical implications of computational modeling and fractal-based analysis.

Neuroradiology
Radiomics is an emerging field that involves extraction and quantification of features from medical images. These data can be mined through computational analysis and models to identify predictive image biomarkers that characterize intra-tumoral dyna...

Multivariate patterns of EEG microstate parameters and their role in the discrimination of patients with schizophrenia from healthy controls.

Psychiatry research
Quasi-stable electrical fields in the EEG, called microstates carry information on the dynamics of large scale brain networks. Using machine learning techniques, we explored whether abnormalities in microstates can be used to classify patients with s...

Uncertainty-Quantified Hybrid Machine Learning/Density Functional Theory High Throughput Screening Method for Crystals.

Journal of chemical information and modeling
Computational high throughput screening (HTS) has emerged as a significant tool in material science to accelerate the discovery of new materials with target properties in recent years. However, despite many successful cases in which HTS led to the no...