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• W4309686855 endingPage "811" @default.
• W4309686855 startingPage "811" @default.
• W4309686855 abstract "Peptide toxins generally have extreme pharmacological activities and provide a rich source for the discovery of drug leads. However, determining the optimal activity of a new peptide can be a long and expensive process. In this study, peptide toxins were retrieved from Uniprot; three positive-unlabeled (PU) learning schemes, adaptive basis classifier, two-step method, and PU bagging were adopted to develop models for predicting the biological function of new peptide toxins. All three schemes were embedded with 14 machine learning classifiers. The prediction results of the adaptive base classifier and the two-step method were highly consistent. The models with top comprehensive performances were further optimized by feature selection and hyperparameter tuning, and the models were validated by making predictions for 61 three-finger toxins or the external HemoPI dataset. Biological functions that can be identified by these models include cardiotoxicity, vasoactivity, lipid binding, hemolysis, neurotoxicity, postsynaptic neurotoxicity, hypotension, and cytolysis, with relatively weak predictions for hemostasis and presynaptic neurotoxicity. These models are discovery-prediction tools for active peptide toxins and are expected to accelerate the development of peptide toxins as drugs." @default.
• W4309686855 created "2022-11-29" @default.
• W4309686855 creator A5028489217 @default.
• W4309686855 creator A5067368375 @default.
• W4309686855 creator A5071798264 @default.
• W4309686855 date "2022-11-21" @default.
• W4309686855 modified "2023-09-25" @default.
• W4309686855 title "Function Prediction of Peptide Toxins with Sequence-Based Multi-Tasking PU Learning Method" @default.
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• W4309686855 doi "https://doi.org/10.3390/toxins14110811" @default.
• W4309686855 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/36422985" @default.
• W4309686855 hasPublicationYear "2022" @default.
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