Biomolecular Interaction Prediction: The Era of AI (Adv. Sci. 38/2025)
Haoping Wang, Xiangjie Meng, Yang Zhang
Abstract
AI-Powered Biomolecular Interaction Prediction On this cover, AI is depicted as a fisherman selecting target ‘fish’ from a pool of candidates, symbolizing its ability to pinpoint high-affinity biomolecular interactions. In article number 2509501, Haoping Wang, Xiangjie Meng, and Yang Zhang systematically review AI applications in biomolecular interaction prediction. Deep learning models leveraging diverse sequence and structural features show outstanding predictive capabilities. The article discusses key methodologies, evaluation strategies, current challenges, and future directions, providing a clear, accessible reference for researchers entering this rapidly evolving field.
Topics & Concepts
Computer scienceNanotechnologyChemistryComputational biologyArtificial intelligenceEngineeringData scienceApplications of artificial intelligenceKey (lock)BiologyGenetics, Bioinformatics, and Biomedical ResearchBioinformatics and Genomic NetworksComputational Drug Discovery Methods