Microsoft Research, United Kingdom; Novartis, Switzerland
Krzysztof Maziarz, Henry Jackson-Flux, Pashmina Cameron, Finton Sirockin, Nadine Schneider, Nikolaus Stiefl, Marwin Segler, Marc Brockschmidt
molecules;graph neural networks;scaffold;generative model
Learning to Extend Molecular Scaffolds with Structural Motifs