Pippin: A random forest-based method for identifying presynaptic and postsynaptic neurotoxins.

Journal: Journal of bioinformatics and computational biology
Published Date: Apr 1, 2020

Abstract

Presynaptic and postsynaptic neurotoxins are two types of neurotoxins from venomous animals and functionally important molecules in the neurosciences; however, their experimental characterization is difficult, time-consuming, and costly. Therefore, bioinformatics tools that can identify presynaptic and postsynaptic neurotoxins would be very useful for understanding their functions and mechanisms. In this study, we propose Pippin, a novel machine learning-based method that allows users to rapidly and accurately identify these two types of neurotoxins. Pippin was developed using the random forest (RF) algorithm and evaluated based on an up-to-date dataset. A variety of sequence and motif features were combined, and a two-step feature-selection algorithm was employed to characterize the optimal feature subset for presynaptic and postsynaptic neurotoxin prediction. Extensive benchmark tests illustrate that Pippin significantly improved predictive performance as compared with six other commonly used machine-learning algorithms, including the naïve Bayes classifier, Multinomial Naïve Bayes classifier (MNBC), AdaBoost, Bagging, -nearest neighbors, and XGBoost. Additionally, we developed an online webserver for Pippin to facilitate public use. To the best of our knowledge, this is the first webserver for presynaptic and postsynaptic neurotoxin prediction.

Authors

  • Pengyu Li
    Monash Biomedicine Discovery Institute and Department of Biochemistry and Molecular Biology, Monash University, Melbourne, VIC 3800, Australia.
  • He Zhang
    College of Natural Resources and Environment, Northwest A&F University, Yangling, 712100, Shaanxi, PR China; Key Laboratory of Plant Nutrition and the Agri-environment in Northwest China, Ministry of Agriculture and Rural Affairs, Yangling, 712100, Shaanxi, PR China.
  • Xuyang Zhao
    College of Information Engineering, Northwest A&F University, Yangling, 712100, P. R. China.
  • Cangzhi Jia
    Department of Mathematics, Dalian Maritime University, No. 1 Linghai Road, Dalian 116026, China. Electronic address: cangzhijia@dlmu.edu.cn.
  • Fuyi Li
    College of Information Engineering, Northwest A&F University, Yangling 712100, China, Department of Biochemistry and Molecular Biology, Monash University, Melbourne, VIC 3800, Australia, National Engineering Laboratory for Industrial Enzymes and Key Laboratory of Systems Microbial Biotechnology, Tianjin Institute of Industrial Biotechnology, Chinese Academy of Sciences, Tianjin, China, Centre for Research in Intelligent Systems, Faculty of Information Technology, Monash University, Melbourne, VIC 3800, Australia and ARC Centre of Excellence in Advanced Molecular Imaging, Monash University, Melbourne, VIC 3800, Australia.
  • Jiangning Song
    College of Information Engineering, Northwest A&F University, Yangling 712100, China, Department of Biochemistry and Molecular Biology, Monash University, Melbourne, VIC 3800, Australia, National Engineering Laboratory for Industrial Enzymes and Key Laboratory of Systems Microbial Biotechnology, Tianjin Institute of Industrial Biotechnology, Chinese Academy of Sciences, Tianjin, China, Centre for Research in Intelligent Systems, Faculty of Information Technology, Monash University, Melbourne, VIC 3800, Australia and ARC Centre of Excellence in Advanced Molecular Imaging, Monash University, Melbourne, VIC 3800, Australia College of Information Engineering, Northwest A&F University, Yangling 712100, China, Department of Biochemistry and Molecular Biology, Monash University, Melbourne, VIC 3800, Australia, National Engineering Laboratory for Industrial Enzymes and Key Laboratory of Systems Microbial Biotechnology, Tianjin Institute of Industrial Biotechnology, Chinese Academy of Sciences, Tianjin, China, Centre for Research in Intelligent Systems, Faculty of Information Technology, Monash University, Melbourne, VIC 3800, Australia and ARC Centre of Excellence in Advanced Molecular Imaging, Monash University, Melbourne, VIC 3800, Australia College of Information Engineering, Northwest A&F University, Yangling 712100, China, Department of Biochemistry and Molecular Biology, Monash University, Melbourne, VIC 3800, Australia, National Engineering Laboratory for Industrial Enzymes and Key Laboratory of Systems Microbial Biotechnology, Tianjin Institute of Industrial Biotechnology, Chinese Academy of Sciences, Tianjin, China, Centre for Research in Intelligent Systems, Faculty of Information Technology, Monash University, Melbourne, VIC 3800, Australia and ARC Centre of Excellence in Advanced Molecular Imaging, Monash University, Melbourne, VIC 3800, Australia.

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