A robotic platform for flow synthesis of organic compounds informed by AI planning
Abstract
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.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Aug 09, 2019
- Source ID
- 10.1126/science.aax1566
Entities
People
- A. John Hart
- Christopher P. Breen
- Connor W. Coley
- Dale A. Thomas
- Hanyu Gao
- John S. Piotti
- Jonathan N. Jaworski
- Joshua Byington
- Joshua S. Fishman
- Justin A. M. Lummiss
- Klavs F. Jensen
- Luke Rogers
- Pieter P. Plehiers
- Robert W. Hicklin
- Timothy F. Jamison
- Travis Hart
- Victor Schultz
- William H. Green
Organizations
- Massachusetts Institute of Technology