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Deep Learning Invades Drug Design and Synthesis.
Arús-Pous J, Probst D, Reymond JL. Arús-Pous J, et al. Chimia (Aarau). 2018 Feb 1;72(1):70-71. doi: 10.2533/chimia.2018.70. Chimia (Aarau). 2018. PMID: 29490798 No abstract available.
Virtual Exploration of the Ring Systems Chemical Universe.
Visini R, Arús-Pous J, Awale M, Reymond JL. Visini R, et al. J Chem Inf Model. 2017 Nov 27;57(11):2707-2718. doi: 10.1021/acs.jcim.7b00457. Epub 2017 Oct 30. J Chem Inf Model. 2017. PMID: 29019686
REINVENT 2.0: An AI Tool for De Novo Drug Design.
Blaschke T, Arús-Pous J, Chen H, Margreitter C, Tyrchan C, Engkvist O, Papadopoulos K, Patronov A. Blaschke T, et al. Among authors: arus pous j. J Chem Inf Model. 2020 Dec 28;60(12):5918-5922. doi: 10.1021/acs.jcim.0c00915. Epub 2020 Oct 29. J Chem Inf Model. 2020. PMID: 33118816
Exploring Chemical Space with Machine Learning.
Arús-Pous J, Awale M, Probst D, Reymond JL. Arús-Pous J, et al. Chimia (Aarau). 2019 Dec 18;73(12):1018-1023. doi: 10.2533/chimia.2019.1018. Chimia (Aarau). 2019. PMID: 31883554
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