Welcome to NTxPred2, our comprehensive tool to predict both neurotoxic peptides and neurotoxic proteins (neurotoxins) from non-toxic peptides and proteins with maximum AUC of 0.98 and 0.94 respectively. Our mission is to empower researchers engaged in therapeutic peptide and protein development by providing innovative methods for quantifying and classifying neurotoxic peptides and proteins that target the central nervous system. NTxPred2 stands out as a novel approach, trained and evaluated on a robust dataset of 1754 and 1550 experimentally validated neurotoxic peptides and proteins respectively. Leveraging machine learning, and protein language models, we've crafted classification models, including those utilizing word embeddings from protein language models. Rigorously benchmarked against diverse non-redundant and external datasets and also assessed protein models on the peptide dataset and vice versa (highlighting the necessity of separate models), NTxPred2 represents a significant advancement over its predecessor, NTXPred which uses a single model to predict both neurotoxic peptides and proteins (See SageJournals doi: 10.3233/ISI-2007-00295).
Our server empowers users to predict the neurotoxic potential of peptides and proteins, enabling functions such as virtual screening and analog-based peptide/protein design. Here are some key features and modules:
Predict the neurotoxic potency of peptides, proteins and their analogs.
Identify neurotoxic regions within a peptide and protein.
Creates non-toxic peptides and proteins from the primary sequence, generating mutant peptides and proteins with a single mutation for neurotoxic activity prediction.
Provide overview of computational tools for predicting different types of toxic activities of peptides and proteins.
Standalone software and pip package, designed for large-scale neurotoxic peptide and protein prediction, along with the associated datasets.
The Help page offers assistance and guidance on using the tool effectively. The Team link provides information about the team behind NTxPred2, and the Contact link allows users to reach out for any inquiries or feedback.
Let NTxPred2 be your guide in the pursuit of innovative solutions for healthcare and beyond.
Vision: We envision a future where all resources are freely accessible to the scientific community through open source software and open access initiatives.