Generative AI for 3D Molecular Structure Prediction Using Diffusion Models
Abstract
It is essential to be able to create unbiased biological sub-comparative routes to study, to gain an empirical understanding of them. This study explains the exploration of a framework that uses generative artificial intelligence and diffusion-based learning. When drawing graph-based representations having geometric limitations the structures and atom to atom interactions must be valid. Enhancement in molecular stability accuracy achieved on the experimental assessment relative to customary generative approaches. These discoveries work against drugs design and discoveries using AI-driven methods are advantageous.
Fields of Study & Subjects
Machine Learning in Bioinformatics
Computational Drug Discovery Methods
Bioinformatics and Genomic Networks
Publication details
- Publisher
- Institute of Electrical and Electronics Engineers (IEEE)
- Publication date
- 27 February 2026
- Document type
- Preprint