Dataset Design for Building Models of Chemical Reactivity-Reference-Cited by-同舟云学术

Dataset Design for Building Models of Chemical Reactivity

Published:2023-12-08 Issue:12 Volume:9 Page:2196-2204
ISSN:2374-7943
Container-title:ACS Central Science
language:en
Short-container-title:ACS Cent. Sci.

Author:

Raghavan Priyanka¹,Haas Brittany C.²^ORCID,Ruos Madeline E.³^ORCID,Schleinitz Jules⁴^ORCID,Doyle Abigail G.³^ORCID,Reisman Sarah E.⁴^ORCID,Sigman Matthew S.²^ORCID,Coley Connor W.¹⁵^ORCID

Affiliation:

1. Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States

2. Department of Chemistry, University of Utah, Salt Lake City, Utah 84112, United States

3. Department of Chemistry & Biochemistry, University of California, Los Angeles, Los Angeles, California 90095, United States

4. Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, United States

5. Department of Electrical Engineering and Computer Science, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States

Funder

Division of Chemistry

Publisher

American Chemical Society (ACS)

Subject

General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acscentsci.3c01163

Reference52 articles.

1. The Effect of Structure upon the Reactions of Organic Compounds. Benzene Derivatives

2. The Evolution of Data-Driven Modeling in Organic Chemistry

3. The Development of Multidimensional Analysis Tools for Asymmetric Catalysis and Beyond

4. Predictive chemistry: machine learning for reaction deployment, reaction development, and reaction discovery

5. A robustness screen for the rapid assessment of chemical reactions

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