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Computer-aided organic synthesis
Abstract
It is tempting for those in the field of organic synthesis to liken the process of retrosynthesis to a game of chess. That the world chess champion was recently defeated by a computer leads us to think that perhaps new and powerful computing methods could be applied to synthetic problems. Here the analogy between synthesis and chess is outlined. Achievements in the 35-year history of computer-aided synthetic design are described, followed by some more recent developments.
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Campbell, M., Hoane, A. J., & Hsu, F.-H. (2002) · Artificial Intelligence · doi:10.1016/s0004-3702(01)00129-1 · Cited by 1,226
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Ahneman, D. T., Estrada, J. G., Lin, S., Dreher, S. D., & Doyle, A. G. (2018) · Science · doi:10.1126/science.aar5169 · Cited by 1,058
Machine Learning in Computer-Aided Synthesis Planning
Coley, C. W., Green, W. H., & Jensen, K. F. (2018) · Accounts of Chemical Research · doi:10.1021/acs.accounts.8b00087 · Cited by 704
Computer‐Assisted Synthetic Planning: The End of the Beginning
Szymkuć, S., Gajewska, E. P., Klucznik, T., Molga, K., Dittwald, P., Startek, M., Bajczyk, M., & Grzybowski, B. A. (2016) · Angewandte Chemie International Edition · doi:10.1002/anie.201506101 · Cited by 611
Neural‐Symbolic Machine Learning for Retrosynthesis and Reaction Prediction
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Metadata
- Authors
- Todd, M. H.
- Venue
- Chemical Society Reviews
- Publisher
- Royal Society of Chemistry (RSC)
- Published
- 2005
- Volume
- 34
- Issue
- 3
- Pages
- 247
- ISSN
- 0306-0012 (ISSN-L)
- 1460-4744
- OpenAlex
- W2328708083
- Cited by
- 182
- References
- 1
- FWCI
- 0.28
- Type
- journal article
- Language
- en
- Open access
- closed
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
