A robotic platform for flow synthesis of organic compounds informed by AI planning
2019; American Association for the Advancement of Science; Volume: 365; Issue: 6453 Linguagem: Inglês
10.1126/science.aax1566
ISSN1095-9203
AutoresConnor W. Coley, Dale A. Thomas, Justin A. M. Lummiss, Jonathan N. Jaworski, C. Breen, Victor Schultz, Travis Hart, Joshua Fishman, Luke Rogers, Hanyu Gao, Robert W. Hicklin, Pieter Plehiers, Joshua Byington, John S. Piotti, William H. Green, A. John Hart, Timothy F. Jamison, Klavs F. Jensen,
Tópico(s)Chemical Synthesis and Analysis
ResumoPairing prediction and robotic synthesis Progress in automated synthesis of organic compounds has been proceeding along parallel tracks. One goal is algorithmic prediction of viable routes to a desired compound; the other is implementation of a known reaction sequence on a platform that needs little to no human intervention. Coley et al. now report preliminary integration of these two protocols. They paired a retrosynthesis prediction algorithm with a robotically reconfigurable flow apparatus. Human intervention was still required to supplement the predictor with practical considerations such as solvent choice and precise stoichiometry, although predictions should improve as accessible data accumulate for training. Science , this issue p. eaax1566
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