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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.
Optimizing Antimicrobial Peptide Dendrimers in Chemical Space.
Siriwardena TN, Capecchi A, Gan BH, Jin X, He R, Wei D, Ma L, Köhler T, van Delden C, Javor S, Reymond JL. Siriwardena TN, et al. Among authors: reymond jl. Angew Chem Int Ed Engl. 2018 Jul 9;57(28):8483-8487. doi: 10.1002/anie.201802837. Epub 2018 Jun 15. Angew Chem Int Ed Engl. 2018. PMID: 29767453
PubChem and ChEMBL beyond Lipinski.
Capecchi A, Awale M, Probst D, Reymond JL. Capecchi A, et al. Among authors: reymond jl. Mol Inform. 2019 May;38(5):e1900016. doi: 10.1002/minf.201900016. Epub 2019 Mar 7. Mol Inform. 2019. PMID: 30844149
Exploring Chemical Space with Machine Learning.
Arús-Pous J, Awale M, Probst D, Reymond JL. Arús-Pous J, et al. Among authors: reymond jl. Chimia (Aarau). 2019 Dec 18;73(12):1018-1023. doi: 10.2533/chimia.2019.1018. Chimia (Aarau). 2019. PMID: 31883554 Free article.
Machine learning designs non-hemolytic antimicrobial peptides.
Capecchi A, Cai X, Personne H, Köhler T, van Delden C, Reymond JL. Capecchi A, et al. Among authors: reymond jl. Chem Sci. 2021 Jun 7;12(26):9221-9232. doi: 10.1039/d1sc01713f. eCollection 2021 Jul 7. Chem Sci. 2021. PMID: 34349895 Free PMC article.
333 results