AI-powered synthesis planning against COVID-19
Discovering a novel drug candidate against COVID-19 has the potential to dramatically reduce mortality due to the coronavirus pandemic. However, one of the key roadblocks for drug discovery in general is synthesis planning – designing how to make a molecule selected as a potential drug candidate. Designing a synthesis pathway is a difficult and laborious task for chemists, which slows down the drug discovery process. Molecule.one helps chemists by automatically designing reaction pathways. In March we released free access to our API for drug discovery teams that tackle COVID-19. In this talk, we will describe our efforts in developing AI for automatic synthesis planning, and discuss how it has been used by drug discovery teams fighting COVID-19.
Mikolaj Błaż – is a Data Scientist working at Molecule.one. He graduated from University of Warsaw with degrees in Computer Science and Maths. His Machine Learning career builds on top of his scientific background, as well as an interest in algorithms, AI and digital design. At Molecule.one he works on improving synthesis planning software with help of ML, data analysis and search algorithms.