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Open-Source Chromatographic Data Analysis for Reaction Optimization and Screening.
Haas CP, Lübbesmeyer M, Jin EH, McDonald MA, Koscher BA, Guimond N, Di Rocco L, Kayser H, Leweke S, Niedenführ S, Nicholls R, Greeves E, Barber DM, Hillenbrand J, Volpin G, Jensen KF. Haas CP, et al. Among authors: jensen kf. ACS Cent Sci. 2023 Feb 9;9(2):307-317. doi: 10.1021/acscentsci.2c01042. eCollection 2023 Feb 22. ACS Cent Sci. 2023. PMID: 36844498 Free PMC article.
Prediction of Organic Reaction Outcomes Using Machine Learning.
Coley CW, Barzilay R, Jaakkola TS, Green WH, Jensen KF. Coley CW, et al. Among authors: jensen kf. ACS Cent Sci. 2017 May 24;3(5):434-443. doi: 10.1021/acscentsci.7b00064. Epub 2017 Apr 18. ACS Cent Sci. 2017. PMID: 28573205 Free PMC article.
Computer-Assisted Retrosynthesis Based on Molecular Similarity.
Coley CW, Rogers L, Green WH, Jensen KF. Coley CW, et al. Among authors: jensen kf. ACS Cent Sci. 2017 Dec 27;3(12):1237-1245. doi: 10.1021/acscentsci.7b00355. Epub 2017 Nov 16. ACS Cent Sci. 2017. PMID: 29296663 Free PMC article.
BigSMILES: A Structurally-Based Line Notation for Describing Macromolecules.
Lin TS, Coley CW, Mochigase H, Beech HK, Wang W, Wang Z, Woods E, Craig SL, Johnson JA, Kalow JA, Jensen KF, Olsen BD. Lin TS, et al. Among authors: jensen kf. ACS Cent Sci. 2019 Sep 25;5(9):1523-1531. doi: 10.1021/acscentsci.9b00476. Epub 2019 Sep 12. ACS Cent Sci. 2019. PMID: 31572779 Free PMC article.
Autonomous, multiproperty-driven molecular discovery: From predictions to measurements and back.
Koscher BA, Canty RB, McDonald MA, Greenman KP, McGill CJ, Bilodeau CL, Jin W, Wu H, Vermeire FH, Jin B, Hart T, Kulesza T, Li SC, Jaakkola TS, Barzilay R, Gómez-Bombarelli R, Green WH, Jensen KF. Koscher BA, et al. Among authors: jensen kf. Science. 2023 Dec 22;382(6677):eadi1407. doi: 10.1126/science.adi1407. Epub 2023 Dec 22. Science. 2023. PMID: 38127734
Parallel multi-droplet platform for reaction kinetics and optimization.
Eyke NS, Schneider TN, Jin B, Hart T, Monfette S, Hawkins JM, Morse PD, Howard RM, Pfisterer DM, Nandiwale KY, Jensen KF. Eyke NS, et al. Among authors: jensen kf. Chem Sci. 2023 Aug 4;14(33):8798-8809. doi: 10.1039/d3sc02082g. eCollection 2023 Aug 23. Chem Sci. 2023. PMID: 37621435 Free PMC article.
283 results