Protein Science · 2022 · 32 citations · 32 references
PharmacyBioinformaticsBiotechnologyComputational BiologyDrug DesignDrug DiscoveryComputational Drug DiscoveryPeptide Drug DiscoveryPeptide IdentificationProtein-ligand RecognitionApplication Programming Interface (Api)Computational Peptide DesignPeptide Library DesignPeptide Library ScreeningPeptide ScreeningQuorum-sensing MoleculesTherapeutic Peptides
Peptides are attractive alternatives for the development of new therapeutic strategies due to their versatility and low complexity of synthesis. Increasing interest in these molecules has led to the creation of large collections of experimentally characterized therapeutic peptides, which greatly contributes to development of data-driven computational approaches. Here we propose CSM-peptides, a novel machine learning method for rapid identification of eight different types of therapeutic peptides: anti-angiogenic, anti-bacterial, anti-cancer, anti-inflammatory, anti-viral, cell-penetrating, quorum sensing, and surface binding. Our method has shown to outperform existing approaches, achieving an AUC of up to 0.92 on independent blind tests, and consistent performance on cross-validation. We anticipate CSM-peptides to be of great value in helping screening large libraries to identify novel peptides with therapeutic potential and have made it freely available as a user-friendly web server and Application Programming Interface at https://biosig.lab.uq.edu.au/csm_peptides.
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Scikit-learn: Machine Learning in Python
PedregosaFabian, VaroquauxGaël, GramfortAlexandre et al. · Journal of Machine Learning Research · 2011 · 8.2K citations
AAindex: amino acid index database, progress report 2008
Shuichi Kawashima, Piotr Pokarowski, Maria Pokarowska et al. · Nucleic Acids Research · 2007 · 1.2K citations · Full text