A de novo molecular generation method using latent vector based generative adversarial network. - Oleksii Prykhodko; Simon Johansson; Panagiotis-Christos Kotsias; Josep Arús-Pous; Esben Jannik Bjerrum; Ola Engkvist; Hongming Chen 001 (J. Cheminformatics, 2019)

Direct steering of de novo molecular generation with descriptor conditional recurrent neural networks. - Panagiotis-Christos Kotsias; Josep Arús-Pous; Hongming Chen 001; Ola Engkvist; Christian Tyrchan; Esben Jannik Bjerrum (Nat. Mach. Intell., 2020)