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Prediction of Organic Reaction Outcomes Using Machine Learning.
Coley CW, Barzilay R, Jaakkola TS, Green WH, Jensen KF. Coley CW, et al. Among authors: green wh. 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: green wh. 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.
SCScore: Synthetic Complexity Learned from a Reaction Corpus.
Coley CW, Rogers L, Green WH, Jensen KF. Coley CW, et al. Among authors: green wh. J Chem Inf Model. 2018 Feb 26;58(2):252-261. doi: 10.1021/acs.jcim.7b00622. Epub 2018 Jan 26. J Chem Inf Model. 2018. PMID: 29309147
Machine Learning in Computer-Aided Synthesis Planning.
Coley CW, Green WH, Jensen KF. Coley CW, et al. Among authors: green wh. Acc Chem Res. 2018 May 15;51(5):1281-1289. doi: 10.1021/acs.accounts.8b00087. Epub 2018 May 1. Acc Chem Res. 2018. PMID: 29715002
A robotic platform for flow synthesis of organic compounds informed by AI planning.
Coley CW, Thomas DA 3rd, Lummiss JAM, Jaworski JN, Breen CP, Schultz V, Hart T, Fishman JS, Rogers L, Gao H, Hicklin RW, Plehiers PP, Byington J, Piotti JS, Green WH, Hart AJ, Jamison TF, Jensen KF. Coley CW, et al. Among authors: green wh. Science. 2019 Aug 9;365(6453):eaax1566. doi: 10.1126/science.aax1566. Science. 2019. PMID: 31395756
Current and Future Roles of Artificial Intelligence in Medicinal Chemistry Synthesis.
Struble TJ, Alvarez JC, Brown SP, Chytil M, Cisar J, DesJarlais RL, Engkvist O, Frank SA, Greve DR, Griffin DJ, Hou X, Johannes JW, Kreatsoulas C, Lahue B, Mathea M, Mogk G, Nicolaou CA, Palmer AD, Price DJ, Robinson RI, Salentin S, Xing L, Jaakkola T, Green WH, Barzilay R, Coley CW, Jensen KF. Struble TJ, et al. Among authors: green wh. J Med Chem. 2020 Aug 27;63(16):8667-8682. doi: 10.1021/acs.jmedchem.9b02120. Epub 2020 Apr 14. J Med Chem. 2020. PMID: 32243158 Free PMC article.
178 results