Related Experiment Video
Updated: Dec 5, 2025

Author Spotlight: Streamlining Protein Target Prediction and Validation via Molecular Docking and CETSA
Published on: February 23, 2024
Artificial intelligence and machine learning for protein toxicity prediction using proteomics data
Shubham Vishnoi1, Himani Matre2, Prabha Garg3
1Department of Physics, Bernal Institute, University of Limerick, Limerick, Ireland.
Abstract:
Instead of only focusing on the targeted drug delivery system, researchers have a great interest in developing peptide-based therapies for the procurement of numerous class of diseases. The main idea behind this is to anchor the properties of the receptor to design peptide-based therapeutics. As these macromolecules have distinct physicochemical properties over small molecules, it becomes an obligatory field for the treatment of diseases. For this, various in silico models have been developed to speculate the proteins by virtue of the application of machine learning and artificial intelligence. By analysing the properties and structural alert of toxic proteins, researchers aim to dissert some of the mechanisms of protein toxicity from which therapeutic insights may be drawn. Numerous models already exist worldwide emphasizing themselves as leading paramount for toxicity prediction in protein macromolecules. Few of them comparatively compete with the other predictive protein toxicity models and convincingly give a high-performance result in terms of accuracy. But their foundation is quite ambiguous, and varying approaches are found at the level of toxicoproteomic data utilization while building a machine learning model. In this review work, we present the contribution of artificial intelligence and machine learning approaches in prediction of protein toxicity using proteomics data.
More Related Videos
16:02Demonstration of the Sequence Alignment to Predict Across Species Susceptibility Tool for Rapid Assessment of Protein Conservation
Published on: February 10, 2023
06:50Author Spotlight: A Computational Approach to Decipher Amino Acid Preferences in Multispecific Protein-Protein Interactions
Published on: January 26, 2024
Related Concept Videos
Proteomics
Proteomics is the study of proteomes' function. It involves the large-scale systematic study of the proteome to denote the protein complement expressed by a genome. Scientist Mark Wilkins coined the term...
Protein-protein Interfaces
Protein Networks
These interactions can be represented through maps depicting protein-protein interaction networks, represented as nodes and edges. Nodes are circles that are representative of a protein,...