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A deep learning method for predicting the minimum inhibitory concentration of antimicrobial peptides against Escherichia coli using Multi-Branch-CNN and Attention
Yan, Jielu1; Zhang, Bob1; Zhou, Mingliang2; Campbell-Valois, François Xavier3,4,5; Siu, Shirley W.I.6
Source PublicationmSystems
ISSN2379-5077
2023-07-11
Abstract

Antimicrobial peptides (AMPs) are a promising alternative to antibiotics to combat drug resistance in pathogenic bacteria. However, the development of AMPs with high potency and specificity remains a challenge, and new tools to evaluate antimicrobial activity are needed to accelerate the discovery process. Therefore, we proposed MBC-Attention, a combination of a multi-branch convolution neural network architecture and attention mechanisms to predict the experimental minimum inhibitory concentration of peptides against Escherichia coli. The optimal MBC-Attention model achieved an average Pearson correlation coefficient (PCC) of 0.775 and a root mean squared error (RMSE) of 0.533 (log μM) in three independent tests of randomly drawn sequences from the data set. This results in a 5–12% improvement in PCC and a 6– 13% improvement in RMSE compared to 17 traditional machine learning models and 2 optimally tuned models using random forest and support vector machine. Ablation studies confirmed that the two proposed attention mechanisms, global attention and local attention, contributed largely to performance improvement.

KeywordAntimicrobial Peptides Deep Learning Drug Discovery Minimum Inhibitory Concentrations Regression
Language英語English
DOI10.1128/msystems.00345-23
URLView the original
Volume8
Issue4
WOS IDWOS:001023603300001
WOS SubjectMicrobiology
WOS Research AreaMicrobiology
Indexed BySCIE
Scopus ID2-s2.0-85171147489
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Document TypeReview article
CollectionFaculty of Science and Technology
DEPARTMENT OF COMPUTER AND INFORMATION SCIENCE
Corresponding AuthorZhang, Bob; Siu, Shirley W.I.
Affiliation1.PAMI Research Group, Department of Computer and Information Science, University of Macau, Taipa, Macau, Macao
2.School of Computer Science, Chongqing University, Shapingba, Chongqing, China
3.Host-Microbe Interactions Laboratory, Center for Chemical and Synthetic Biology, Department of Chemistry and Biomolecular Sciences, University of Ottawa, Ottawa, Canada
4.Centre for Infection, Immunity, and Inflammation, University of Ottawa, Ottawa, Canada
5.Department of Biochemistry, Microbiology and Immunology, University of Ottawa, Ottawa, Canada
6.Institute of Science and Environment, University of Saint Joseph, Macau, Macao
First Author AffilicationUniversity of Macau
Corresponding Author AffilicationUniversity of Macau
Recommended Citation
GB/T 7714
Yan, Jielu,Zhang, Bob,Zhou, Mingliang,et al. A deep learning method for predicting the minimum inhibitory concentration of antimicrobial peptides against Escherichia coli using Multi-Branch-CNN and Attention[J]. mSystems, 2023, 8(4).
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