March 28, 2018

Planning chemical syntheses with deep neural networks and symbolic AI

Marwin Segler et al

The AI technology developed by Marwin uses deep neural networks to learn from every chemical reaction ever performed (12.4 million of them). Combined with modern tree search algorithms, this allows to plan the synthesis of novel molecules. The technology augments the ability of chemists to make molecules faster, increases the success rate of synthetic chemistry and the speed and efficiency of drug development in general.