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Page 1
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: jaakkola ts. Cell. 2020 Feb 20;180(4):688-702.e13. doi: 10.1016/j.cell.2020.01.021. Cell. 2020. PMID: 32084340 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: jaakkola ts. 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. 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. 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.
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. 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.
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: jaakkola ts. Cell. 2020 Apr 16;181(2):475-483. doi: 10.1016/j.cell.2020.04.001. Cell. 2020. PMID: 32302574 Free article. No abstract available.
Deep learning identifies synergistic drug combinations for treating COVID-19.
Jin W, Stokes JM, Eastman RT, Itkin Z, Zakharov AV, Collins JJ, Jaakkola TS, Barzilay R. Jin W, et al. Among authors: jaakkola ts. Proc Natl Acad Sci U S A. 2021 Sep 28;118(39):e2105070118. doi: 10.1073/pnas.2105070118. Proc Natl Acad Sci U S A. 2021. PMID: 34526388 Free PMC article.
42 results