A research group led by chemist Thomas Magauer has accomplished a divergent strategy to synthesize nine complex natural compounds. The developed method requires significantly less time and results in ...

Compound design is one of the major tasks for computational approaches in medicinal chemistry. The primary aim is the generation of compounds with desired properties, first and foremost, compounds ...

Machine learning has revolutionized protein structure and interaction prediction, yet its full potential for drug discovery is still emerging. In this study, we show that denoise diffusion-based ...