Engineering & simulationExpanded catalog to 500,000 molecules
Machine learning was used to identify viable chemical candidates by training on 1,500 combinations of 500 molecules and 3 proteins, allowing the system to predict interactions for 500,000 molecules without explicit training on the larger set.
“The 1st ingredient was this machine learning, the other way that they're helping attack this challenge is actually physical automation. So the 1st part was kind of intellectual automation, right? Teaching a machine to learn and to think the way that we would do to try and solve the problem.”
Speaker 2 · Hear it at 20:22