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Arús-Pous, Josep; Patronov, Atanas; Bjerrum, Esben Jannik; Tyrchan, Christian; Reymond, Jean-Louis; Chen, Hongming; Engkvist, Ola (2020). SMILES-based deep generative scaffold decorator for de-novo drug design. Journal of cheminformatics, 12(1) Springer 10.1186/s13321-020-00441-8
Arús-Pous, Josep; Blaschke, Thomas; Ulander, Silas; Reymond, Jean-Louis; Chen, Hongming; Engkvist, Ola (2019). Exploring the GDB-13 chemical space using deep generative models. Journal of cheminformatics, 11(1), p. 20. Springer 10.1186/s13321-019-0341-z
Arús-Pous, Josep; Johansson, Simon Viet; Prykhodko, Oleksii; Bjerrum, Esben Jannik; Tyrchan, Christian; Reymond, Jean-Louis; Chen, Hongming; Engkvist, Ola (2019). Randomized SMILES strings improve the quality of molecular generative models. Journal of cheminformatics, 11(1) Springer 10.1186/s13321-019-0393-0
Tetko, Igor V.; Engkvist, Ola; Koch, Uwe; Reymond, Jean-Louis; Chen, Hongming (2016). BIGCHEM: Challenges and Opportunities for Big Data Analysis in Chemistry. Molecular informatics, 35(11-12), pp. 615-621. Wiley 10.1002/minf.201600073
