A Survey of Generative AI for De Novo Drug Design: New Frontiers in Molecule and Protein Generation

arXiv:2402.08703v1 Announce Type: cross
Abstract: Artificial intelligence (AI)-driven methods can vastly improve the historically costly drug design process, with various generative models already in widespread use. Generative models for de novo drug design, in particular, focus on the creation of novel biological compounds entirely from scratch, representing a promising future direction. Rapid development in the field, combined with the inherent complexity of the drug design process, creates a difficult landscape for new researchers to enter. In this survey, we organize …

arxiv cs.ai cs.lg design drug design frontiers generative protein q-bio.bm survey type