Скачать или смотреть Generative artificial intelligence (AI) in de Novo drug design. Takeda, Nabla.bio, Insilico Medicine

Generative artificial intelligence (AI) in de Novo drug design. Takeda, Nabla.bio, Insilico Medicine, .... - all betting on Gen AI.

This podcast is an extensive survey exploring the role of generative Artificial Intelligence (AI) in de novo drug design, specifically focusing on the creation of novel small molecules and proteins. The text organizes the field into key areas, such as target-agnostic and target-aware molecule generation, along with various protein subtasks like structure prediction, sequence generation, and backbone design. It provides a comprehensive overview of the progress within these areas, detailing foundational generative models (like VAEs, GANs, and Diffusion Models), relevant datasets, and comparative benchmarking metrics used to evaluate model performance. The survey also highlights current challenges in scalability, applicability, and explainability, while pointing toward future directions for this rapidly evolving research domain.