The DOI matches its Crossref record; 41 of the 41 references it cites were found in a registry or an index.
A robotic platform for flow synthesis of organic compounds informed by AI planning
Abstract
Pairing 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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Extended-Connectivity Fingerprints
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BackgroundAccelerating the discovery of materials for clean energy in the era of smart automation
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An autonomous laboratory for the accelerated synthesis of inorganic materials
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“When these precursors do not cover all the elements in the target, we use a masked precursor completion model 12 to account for such missing precursors.”
Augmenting large language models with chemistry tools
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Metadata
- Authors
- Coley, C. W., Thomas, D. A., Lummiss, J. A. M., Jaworski, J. N., Breen, C. P., Schultz, V., Hart, T., Fishman, J. S., Rogers, L., Gao, H., Hicklin, R. W., Plehiers, P. P., Byington, J., Piotti, J. S., Green, W. H., Hart, A. J., Jamison, T. F., & Jensen, K. F.
- Venue
- Science
- Published
- 2019-08-09
- Volume
- 365
- Issue
- 6453
- ISSN
- 0036-8075 (ISSN-L)
- 1095-9203
- OpenAlex
- W2968071222
- Cited by
- 1,052
- References
- 41
- FWCI
- 34.83
- Type
- journal article
- Language
- en
- Open access
- closed
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- Coley, C. W., Thomas, D. A., Lummiss, J. A. M., Jaworski, J. N., Breen, C. P., Schultz, V., Hart, T., Fishman, J. S., Rogers, L., Gao, H., Hicklin, R. W., Plehiers, P. P., Byington, J., Piotti, J. S., Green, W. H., Hart, A. J., Jamison, T. F., & Jensen, K. F. (2019). A robotic platform for flow synthesis of organic compounds informed by AI planning. Science. https://doi.org/10.1126/science.aax1566
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