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2000
Volume 20, Issue 7
  • ISSN: 1574-8936
  • E-ISSN: 2212-392X

Abstract

Background

Metabolic pathway is an important biological pathway in living organisms as it produces necessary energy to maintain vital movement. Although main part of metabolic pathway has been uncovered by the great efforts in recent years, its completeness is still a problem. The undetected chemical reactions in metabolic pathway have become a hinder for better understanding on its mechanism. Prediction of metabolic pathways that a chemical or enzyme can participate in is the first step to remove this hinder.

Objective

This study aimed to design an effective computational method to predict the metabolic pathways of chemicals and enzymes.

Methods

A new computational model was proposed to predict the metabolic pathways of chemicals and enzymes, which was called MBPathNCP. The kernels for chemicals/enzymes and pathways were constructed using the interactions of chemicals and proteins, and the validated associations between chemicals/enzymes and pathways. The network consistency projection was applied to the kernels and association adjacency matrix to yield the association score for each pair of chemicals/enzymes and pathways.

Results

Cross-validation results on this model shown its good performance. The further tests indicated the reasonability of the entire architecture and its superiority when the negative samples were much more than positive samples.

Conclusion

The proposed model MBPathNCP was efficient to predict the metabolic pathways of chemicals and enzymes and can be a latent useful tool to investigate metabolic pathway system.

© 2025 Bentham Science Publishers
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2024-09-13
2025-09-06

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MBPathNCP: A Metabolic Pathway Prediction Model for Chemicals and Enzymes Based on Network Consistency Projection
Curr Bioinform 20, 620 (2025); https://doi.org/10.2174/0115748936321359240827050752
/content/journals/cbio/10.2174/0115748936321359240827050752
/content/journals/cbio/10.2174/0115748936321359240827050752
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  • Article Type:     Research Article
Keyword(s): chemical; computational method; enzyme; MBPathNCP; Metabolic pathway; network consistency projection

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