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Meier, Kris; Arús-Pous, Josep; Reymond, Jean-Louis (2021). A Potent and Selective Janus Kinase Inhibitor with a Chiral 3D‐Shaped Triquinazine Ring System from Chemical Space. Angewandte Chemie (International ed.), 60(4), pp. 2074-2077. Wiley-VCH 10.1002/anie.202012049
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
Meier, Kris; Bühlmann, Sven; Arús-Pous, Josep; Reymond, Jean-Louis (2020). The Generated Databases (GDBs) as a Source of 3D-shaped Building Blocks for Use in Medicinal Chemistry and Drug Discovery. CHIMIA, 74(4), pp. 241-246. Schweizerische Chemische Gesellschaft 10.2533/chimia.2020.241
Arús-Pous, Josep; Awale, Mahendra; Probst, Daniel; Reymond, Jean-Louis (2019). Exploring Chemical Space with Machine Learning. CHIMIA, 73(12), pp. 1018-1023. Schweizerische Chemische Gesellschaft 10.2533/chimia.2019.1018
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
Arús-Pous, Josep; Probst, Daniel; Reymond, Jean-Louis (2018). Deep Learning Invades Drug Design and Synthesis. CHIMIA, 72(1), pp. 70-71. Schweizerische Chemische Gesellschaft 10.2533/chimia.2018.70
Visini, Ricardo; Arus Pous, Josep; Awale, Mahendra; Reymond, Jean-Louis (2017). Virtual Exploration of the Ring Systems Chemical Universe. Journal of chemical information and modeling, 57(11), pp. 2707-2718. American Chemical Society 10.1021/acs.jcim.7b00457
Awale, Mahendra; Visini, Ricardo; Probst, Daniel; Arus Pous, Josep; Reymond, Jean-Louis (2017). Chemical Space: Big Data Challenge for Molecular Diversity. CHIMIA, 71(10), pp. 661-666. Schweizerische Chemische Gesellschaft 10.2533/chimia.2017.661
