A Process Calculus for Design and Modeling of Retro-Synthesis

Gabriel Broholm, Maliina Hammeken, Marcus Skov Hansen, Alexander Juhl, Marc Storm Larsen, Jørgen Fischer Nilsson, Thomas Pethick, Magnus Gether Sørensen

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Abstract

We describe a logical calculus for process synthesis applying reaction rules for consuming, transforming and producing products at costs. Unlike common logical calculi, which deal with propositions supported by truth semantics, the process synthesis calculus deals with products (in a concrete or abstract sense) and their costs, and creation of products by the composing of appropriate reaction assemblies from a database of reactions or transactions. As such the calculus may be understood as a resource logic akin to linear logics. The calculus appeals to means-end backwards reasoning using a derivative of definite clause logic. Although rather general in scope, as an interesting case in this paper the calculus is applied to chemical retro-synthesis – in particular with the notoriously difficult Solvay cluster designs.

Original languageEnglish
Title of host publicationInformation Modelling and Knowledge Bases XXX
PublisherIOS Press
Publication date2019
Pages20 - 31
ISBN (Print)978-1-61499-932-4
DOIs
Publication statusPublished - 2019
SeriesFrontiers in Artificial Intelligence and Applications
Volume312
ISSN0922-6389

Cite this

Broholm, G., Hammeken, M., Hansen, M. S., Juhl, A., Larsen, M. S., Nilsson, J. F., Pethick, T., & Sørensen, M. G. (2019). A Process Calculus for Design and Modeling of Retro-Synthesis. In Information Modelling and Knowledge Bases XXX (pp. 20 - 31). IOS Press. Frontiers in Artificial Intelligence and Applications, Vol.. 312 https://doi.org/10.3233/978-1-61499-933-1-20