Improving Few- and Zero-Shot Reaction Template Prediction Using Modern Hopfield Networks

1 code implementation • Journal of Chemical Information and Modeling 2022 • Philipp Seidl, Philipp Renz, Natalia Dyubankova, Paulo Neves, Jonas Verhoeven, Jörg K. Wegner, Marwin Segler, Sepp Hochreiter, and Günter Klambauer

Finding synthesis routes for molecules of interest is essential in the discovery of new drugs and materials.

Retrosynthesis Single-step retrosynthesis