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Page 1
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: barzilay r. 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.
Prediction of Organic Reaction Outcomes Using Machine Learning.
Coley CW, Barzilay R, Jaakkola TS, Green WH, Jensen KF. Coley CW, et al. Among authors: barzilay r. 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.
Analyzing Learned Molecular Representations for Property Prediction.
Yang K, Swanson K, Jin W, Coley C, Eiden P, Gao H, Guzman-Perez A, Hopper T, Kelley B, Mathea M, Palmer A, Settels V, Jaakkola T, Jensen K, Barzilay R. Yang K, et al. Among authors: barzilay r. J Chem Inf Model. 2019 Aug 26;59(8):3370-3388. doi: 10.1021/acs.jcim.9b00237. Epub 2019 Aug 13. J Chem Inf Model. 2019. PMID: 31361484 Free PMC article.
Correction to Analyzing Learned Molecular Representations for Property Prediction.
Yang K, Swanson K, Jin W, Coley C, Eiden P, Gao H, Guzman-Perez A, Hopper T, Kelley B, Mathea M, Palmer A, Settels V, Jaakkola T, Jensen K, Barzilay R. Yang K, et al. Among authors: barzilay r. J Chem Inf Model. 2019 Dec 23;59(12):5304-5305. doi: 10.1021/acs.jcim.9b01076. Epub 2019 Dec 9. J Chem Inf Model. 2019. PMID: 31814400 Free PMC article. No abstract available.
A Deep Learning Approach to Antibiotic Discovery.
Stokes JM, Yang K, Swanson K, Jin W, Cubillos-Ruiz A, Donghia NM, MacNair CR, French S, Carfrae LA, Bloom-Ackermann Z, Tran VM, Chiappino-Pepe A, Badran AH, Andrews IW, Chory EJ, Church GM, Brown ED, Jaakkola TS, Barzilay R, Collins JJ. Stokes JM, et al. Among authors: barzilay r. Cell. 2020 Feb 20;180(4):688-702.e13. doi: 10.1016/j.cell.2020.01.021. Cell. 2020. PMID: 32084340 Free PMC article.
Critical assessment of AI in drug discovery.
Walters WP, Barzilay R. Walters WP, et al. Among authors: barzilay r. Expert Opin Drug Discov. 2021 Sep;16(9):937-947. doi: 10.1080/17460441.2021.1915982. Epub 2021 Apr 19. Expert Opin Drug Discov. 2021. PMID: 33870801
182 results