GEN: highly efficient SMILES explorer using autodidactic generative examination networks

por van Deursen, Ruud, Ertl, Peter, Tetko, Igor V., Godin, Guillaume
Publicado 2020

State-of-the-art augmented NLP transformer models for direct and single-step retrosynthesis

por Tetko, Igor V., Karpov, Pavel, Van Deursen, Ruud, Godin, Guillaume
Publicado 2020

A platform for target prediction of phenotypic screening hit molecules

por Homeyer, Nadine, van Deursen, Ruud, Ochoa-Montaño, Bernardo, Heikamp, Kathrin, Ray, Peter, Zuccotto, Fabio, Blundell, Tom L., Gilbert, Ian H.
Publicado 2020