Machine Discovery of Chemical Reaction Pathways

Authors

  • Raul E. Valdes-Perez

DOI:

https://doi.org/10.1609/aimag.v12i4.920

Abstract

A fundamental question in AI is what mechanisms suffice for computer programs to make scientific discoveries. My Ph.D. thesis addresses this question by automating the following scientific task to a significant extent: Given observed data about a particular chemical reaction, discover the underlying set of reaction steps from starting materials to products, that is, elucidate the reaction pathway.

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Published

1991-12-15

How to Cite

Valdes-Perez, R. E. (1991). Machine Discovery of Chemical Reaction Pathways. AI Magazine, 12(4), 11. https://doi.org/10.1609/aimag.v12i4.920

Issue

Vol. 12 No. 4: Winter 1991

Section

Workshop Reports

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