Automated exploration of prebiotic chemical reaction space: progress and perspectives
Artikel i vetenskaplig tidskrift, 2021

Prebiotic chemistry often involves the study of complex systems of chemical reactions that form large networks with a large number of diverse species. Such complex systems may have given rise to emergent phenomena that ultimately led to the origin of life on Earth. The environmental conditions and processes involved in this emergence may not be fully recapitulable, making it difficult for experimentalists to study prebiotic systems in laboratory simulations. Computational chemistry offers efficient ways to study such chemical systems and identify the ones most likely to display complex properties associated with life. Here, we review tools and techniques for modelling prebiotic chemical reaction networks and outline possible ways to identify self-replicating features that are central to many origin-of-life models.

Computational modelling

Network autocatalysis

Self-replicating structures

Prebiotic chemistry

Chemical reaction networks

Automated chemical space searches


Siddhant Sharma

University of Delhi

Blue Marble Space Institute of Science

Chalmers, Kemi och kemiteknik

Aayush Arya

Blue Marble Space Institute of Science

Lovely Professional University

Romulo Cruz

Blue Marble Space Institute of Science

Universidad Nacional de Ingenieria

Henderson James Cleaves

Tokyo Institute of Technology

Blue Marble Space Institute of Science


0024-3019 (ISSN) 2075-1729 (eISSN)

Vol. 11 11 1140


Övrig annan teknik

Inbäddad systemteknik






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