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Expanding the fragrance chemical space for virtual screening.
Ruddigkeit L, Awale M, Reymond JL. Ruddigkeit L, et al. Among authors: reymond jl. J Cheminform. 2014 May 22;6:27. doi: 10.1186/1758-2946-6-27. eCollection 2014. J Cheminform. 2014. PMID: 24876890 Free PMC article.
Web-based 3D-visualization of the DrugBank chemical space.
Awale M, Reymond JL. Awale M, et al. Among authors: reymond jl. J Cheminform. 2016 May 4;8:25. doi: 10.1186/s13321-016-0138-2. eCollection 2016. J Cheminform. 2016. PMID: 27148409 Free PMC article.
Virtual Exploration of the Ring Systems Chemical Universe.
Visini R, Arús-Pous J, Awale M, Reymond JL. Visini R, et al. Among authors: reymond jl. 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
Chemical Space: Big Data Challenge for Molecular Diversity.
Awale M, Visini R, Probst D, Arús-Pous J, Reymond JL. Awale M, et al. Among authors: reymond jl. Chimia (Aarau). 2017 Oct 25;71(10):661-666. doi: 10.2533/chimia.2017.661. Chimia (Aarau). 2017. PMID: 29070411 Free article. Review.
Deep Learning Invades Drug Design and Synthesis.
Arús-Pous J, Probst D, Reymond JL. Arús-Pous J, et al. Among authors: reymond jl. Chimia (Aarau). 2018 Feb 1;72(1):70-71. doi: 10.2533/chimia.2018.70. Chimia (Aarau). 2018. PMID: 29490798 Free article. No abstract available.
331 results