artificial​_intellige​nce

An artificial intelligence approach to pro-actively inspire drug discovery with recommendations



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  • S.L. Rohall, L. Auch, J. Gable, J. Gora, J. Jansen, Y. Lu, E. Martin, M. Pancost-Heidebrecht, B. Shirley, N. Stiefl, and M. Lindvall, "An Artificial Intelligence Approach to Proactively Inspire Drug Discovery with Recommendations", Journal of Medicinal Chemistry, 2020. http://dx.doi.org/10.1021/acs.jmedchem.9b02130
  • Machine learning in drug discovery and development part 1 – a primer

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  • A. Talevi, J.F. Morales, G. Hather, J.T. Podichetty, S. Kim, P.C. Bloomingdale, S. Kim, J. Burton, J.D. Brown, A.G. Winterstein, S. Schmidt, J.K. White, and D.J. Conrado, "Machine Learning in Drug Discovery and Development Part 1: A Primer", CPT: Pharmacometrics & Systems Pharmacology, vol. 9, pp. 129-142, 2020. http://dx.doi.org/10.1002/psp4.12491
  • Rethinking drug design in the artificial intelligence era

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  • P. Schneider, W.P. Walters, A.T. Plowright, N. Sieroka, J. Listgarten, R.A. Goodnow, J. Fisher, J.M. Jansen, J.S. Duca, T.S. Rush, M. Zentgraf, J.E. Hill, E. Krutoholow, M. Kohler, J. Blaney, K. Funatsu, C. Luebkemann, and G. Schneider, "Rethinking drug design in the artificial intelligence era", Nature Reviews Drug Discovery, vol. 19, pp. 353-364, 2019. http://dx.doi.org/10.1038/s41573-019-0050-3
  • Autonomous discovery in the chemical sciences: Progress and Outlook

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    [2]

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  • C.W. Coley, N.S. Eyke, and K.F. Jensen, "Autonomous Discovery in the Chemical Sciences Part I: Progress", Angewandte Chemie International Edition, 2020. http://dx.doi.org/10.1002/anie.201909987
  • C.W. Coley, N.S. Eyke, and K.F. Jensen, "Autonomous Discovery in the Chemical Sciences Part II: Outlook", Angewandte Chemie International Edition, 2020. http://dx.doi.org/10.1002/anie.201909989
  • A robotic platform for flow synthesis of organic compounds informed by AI planning

    [new paper by Timothy F. Jamison and Klavs F. Jensen]

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  • C.W. Coley, D.A. Thomas, J.A.M. Lummiss, J.N. Jaworski, C.P. Breen, V. Schultz, T. Hart, J.S. Fishman, L. Rogers, H. Gao, R.W. Hicklin, P.P. Plehiers, J. Byington, J.S. Piotti, W.H. Green, A.J. Hart, T.F. Jamison, and K.F. Jensen, "A robotic platform for flow synthesis of organic compounds informed by AI planning", Science, vol. 365, pp. eaax1566, 2019. http://dx.doi.org/10.1126/science.aax1566
  • Data-Rich Experimentation Enables Palladium-Catalyzed Couplings of Piperidines and Five-Membered (Hetero)aromatic Electrophiles

    (Merck & Co.)

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  • A.C. Sather, and T.A. Martinot, "Data-Rich Experimentation Enables Palladium-Catalyzed Couplings of Piperidines and Five-Membered (Hetero)aromatic Electrophiles", Organic Process Research & Development, vol. 23, pp. 1725-1739, 2019. http://dx.doi.org/10.1021/acs.oprd.9b00233
  • Structure Validation of Complex Natural Products: Time to Change the Paradigm. What did Synthesis of Alstofolinine A Prove?


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  • A.G. Kutateladze, and T. Holt, "Structure Validation of Complex Natural Products: Time to Change the Paradigm. What did Synthesis of Alstofolinine A Prove?", The Journal of Organic Chemistry, vol. 84, pp. 8297-8299, 2019. http://dx.doi.org/10.1021/acs.joc.9b00969
  • The Evolution of High-Throughput Experimentation in Pharmaceutical Development and Perspectives on the Future

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  • S.M. Mennen, C. Alhambra, C.L. Allen, M. Barberis, S. Berritt, T.A. Brandt, A.D. Campbell, J. Castañón, A.H. Cherney, M. Christensen, D.B. Damon, J. Eugenio de Diego, S. García-Cerrada, P. García-Losada, R. Haro, J. Janey, D.C. Leitch, L. Li, F. Liu, P.C. Lobben, D.W.C. MacMillan, J. Magano, E. McInturff, S. Monfette, R.J. Post, D. Schultz, B.J. Sitter, J.M. Stevens, I.I. Strambeanu, J. Twilton, K. Wang, and M.A. Zajac, "The Evolution of High-Throughput Experimentation in Pharmaceutical Development and Perspectives on the Future", Organic Process Research & Development, vol. 23, pp. 1213-1242, 2019. http://dx.doi.org/10.1021/acs.oprd.9b00140