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Peptides, short-chained amino acids, have shown great potentials toward the investigation and evolution of novel medications for treatment or therapy. The wet-lab based discovery of potential therapeutic peptides and eventually drug development is a hard and time-consuming process. The computational prediction using machine learning (ML) methods can expedite and facilitate the discovery process of potential prospects with therapeutic effects. ML approaches have been practiced favorably and extensively within the area of proteins, DNA, and RNA to discover the hidden features and functional activities, moreover, recently been utilized for functional discovery of peptides for various therapeutics. In this paper, a systematic literature review (SLR) has been presented to recognize the data-sources, ML classifiers, and encoding schemes being utilized in the state-of-the-art computational models to predict …