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Use of machine learning to identify a T cell response to SARS-CoV-2.

Cell reports. Medicine
The identification of SARS-CoV-2-specific T cell receptor (TCR) sequences is critical for understanding T cell responses to SARS-CoV-2. Accordingly, we reanalyze publicly available data from SARS-CoV-2-recovered patients who had low-severity disease ...

QSSR Modeling of Bacillus Subtilis Lipase A Peptide Collision Cross-Sections in Ion Mobility Spectrometry: Local Descriptor Versus Global Descriptor.

The protein journal
To investigate the structure-dependent peptide mobility behavior in ion mobility spectrometry (IMS), quantitative structure-spectrum relationship (QSSR) is systematically modeled and predicted for the collision cross section Ω values of totally 162 s...

Discrimination of Malaysian stingless bee honey from different entomological origins based on physicochemical properties and volatile compound profiles using chemometrics and machine learning.

Food chemistry
Identification of honey origin based on specific chemical markers is important for honey authentication. This study is aimed to differentiate Malaysian stingless bee honey from different entomological origins (Heterotrigona bakeri, Geniotrigona thora...

Machine learning and statistics to qualify environments through multi-traits in Coffea arabica.

PloS one
Several factors such as genotype, environment, and post-harvest processing can affect the responses of important traits in the coffee production chain. Determining the influence of these factors is of great relevance, as they can be indicators of the...

Artificial neural networks combined multi-wavelength transmission spectrum feature extraction for sensitive identification of waterborne bacteria.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
Present research is focused on the rapid and accurate identification of bacterial species based on artificial neural networks combined with spectral data processing technology. The spectra of different bacterial species in the logarithmic growth phas...

Raman spectroscopy of follicular fluid and plasma with machine-learning algorithms for polycystic ovary syndrome screening.

Molecular and cellular endocrinology
Polycystic ovary syndrome (PCOS) is the main cause of anovulatory infertility and affects women throughout their lives. The specific diagnostic method is still under investigation. In the present study, we aimed to identify the metabolic tracks of th...

Improved Deep Learning Based Method for Molecular Similarity Searching Using Stack of Deep Belief Networks.

Molecules (Basel, Switzerland)
Virtual screening (VS) is a computational practice applied in drug discovery research. VS is popularly applied in a computer-based search for new lead molecules based on molecular similarity searching. In chemical databases similarity searching is us...

Free amino acids in African indigenous vegetables: Analysis with improved hydrophilic interaction ultra-high performance liquid chromatography tandem mass spectrometry and interactive machine learning.

Journal of chromatography. A
A hydrophilic interaction (HILIC) ultra-high performance liquid chromatography (UHPLC) with triple quadrupole tandem mass spectrometry (MS/MS) method was developed and validated for the quantification of 21 free amino acids (AAs). Compared to publish...

Identifying individuals with autism spectrum disorder based on the principal components of whole-brain phase synchrony.

Neuroscience letters
Autism spectrum disorder (ASD) is a brain disorder that develops during an early stage of childhood. Previous neuroimaging-based diagnostic models for ASD were based on static functional connectivity (FC). The nonlinear complexity of brain connectivi...

Global gene network exploration based on explainable artificial intelligence approach.

PloS one
In recent years, personalized gene regulatory networks have received significant attention, and interpretation of the multilayer networks has been a critical issue for a comprehensive understanding of gene regulatory systems. Although several statist...