An AI update: deep learning-based molecular de novo design in drug discovery

Ola Engkvist is the Executive Director and Head of Molecular AI in Discovery Sciences within R&D at AstraZeneca (headquartered in Cambridge, UK). His team harnesses advanced computational technologies, including AI, with the aim of enhancing the discovery, design, optimization and synthesis of small molecules to be developed into innovative medicines. Their efforts significantly streamline the drug discovery process, enhancing both its speed and efficiency. At ELRIG Drug Discovery 2024 (2–3 October; London, UK), Ola spoke about how AI has impacted drug design over the last few years, where we are now and what we can expect from AI in the...