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Two-Dimensional (2D) NMR: Overview01:12

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The 1D NMR spectrum of large and complex molecules like natural products has complicated splitting patterns and overlapping signals, which can be easily interpreted using 2-dimensional (2D) NMR. Unlike 1D NMR, 2D NMR has two frequency axes that provide the coupling information between the nucleus A and nucleus B in a molecule. The process from which 2D spectra are obtained has four steps.
The first step is the preparation period, during which nucleus A is excited with a radiofrequency pulse....
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Omics-CNN: A comprehensive pipeline for predictive analytics in quantitative omics using one-dimensional

Anastasia Zompola1, Aigli Korfiati2, Konstantinos Theofilatos3

  • 1Department of Electrical and Computer Engineering, University of Patras, Patras, Greece.

Heliyon
|November 29, 2023
PubMed
Summary

This study introduces Omics-CNN, a novel machine learning tool for disease prediction using omics data. Omics-CNN accurately identifies diagnostic biomarkers for Ischemic Stroke and COVID-19, outperforming existing models.

Keywords:
Convolutional neural networksCovid-19Ischemic strokePersonalized medicineTranscriptomics

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Area of Science:

  • Bioinformatics
  • Computational Biology
  • Machine Learning in Healthcare

Background:

  • Machine learning models are crucial for predicting severe diseases.
  • Convolutional Neural Networks (CNNs) are sophisticated tools with potential for omics data classification.
  • Applying CNNs to multidimensional omics data requires specialized approaches.

Purpose of the Study:

  • To expand Convolutional Neural Networks (CNNs) for multidimensional omics data classification.
  • To develop Omics-CNN, a pipeline for accurate and interpretable classification models from high-throughput omics data.
  • To identify diagnostic biomarkers for diseases like Ischemic Stroke and COVID-19.

Main Methods:

  • Introduced Omics-CNN, a pipeline coupling CNNs with dimensionality reduction, preprocessing, clustering, and explainability techniques.
  • Compared univariate and multivariate dimensionality reduction techniques.
  • Utilized Gradient Weighted Class Activation Mapping for feature importance analysis.

Main Results:

  • Applied Omics-CNN to transcriptomics and proteomics data for Ischemic Stroke (IS) and COVID-19.
  • Achieved high accuracies for diagnostic models: 96% for IS and 95.41% for COVID-19.
  • Identified key biosignatures for IS (KRT15, VPRBP, TNFRSF4, GORASP2) and COVID-19 (ADGRB3, VNN2, AGER, CIAPIN1).

Conclusions:

  • Omics-CNN effectively addresses challenges in applying CNNs to quantitative omics data.
  • The pipeline outperforms previous machine learning models for IS and COVID-19 diagnosis.
  • Omics-CNN successfully determines the most contributing biomarkers for disease diagnosis.