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Predicting enzymatic reactions with a molecular transformer.
Kreutter D, Schwaller P, Reymond JL. Kreutter D, et al. Among authors: reymond jl. Chem Sci. 2021 May 25;12(25):8648-8659. doi: 10.1039/d1sc02362d. eCollection 2021 Jul 1. Chem Sci. 2021. PMID: 34257863 Free PMC article.
Alchemical analysis of FDA approved drugs.
Orsi M, Probst D, Schwaller P, Reymond JL. Orsi M, et al. Among authors: reymond jl. Digit Discov. 2023 Aug 30;2(5):1289-1296. doi: 10.1039/d3dd00039g. eCollection 2023 Oct 9. Digit Discov. 2023. PMID: 38013905 Free PMC article.
Inactivation-mimicking block of the epithelial calcium channel TRPV6.
Bhardwaj R, Lindinger S, Neuberger A, Nadezhdin KD, Singh AK, Cunha MR, Derler I, Gyimesi G, Reymond JL, Hediger MA, Romanin C, Sobolevsky AI. Bhardwaj R, et al. Among authors: reymond jl. Sci Adv. 2020 Nov 27;6(48):eabe1508. doi: 10.1126/sciadv.abe1508. Print 2020 Nov. Sci Adv. 2020. PMID: 33246965 Free PMC 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.
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.
333 results