Automated Exploration of Prebiotic Chemical Reaction Space: Progress and Perspectives

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 p...

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Autores principales:	Siddhant Sharma, Aayush Arya, Romulo Cruz, Henderson James Cleaves II
Formato:	article
Lenguaje:	EN
Publicado:	MDPI AG 2021
Materias:	prebiotic chemistry automated chemical space searches chemical reaction networks computational modelling network autocatalysis self-replicating structures Science Q
Acceso en línea:	https://doaj.org/article/b87b74760b13470096738da92389d699
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id	oai:doaj.org-article:b87b74760b13470096738da92389d699
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spelling	oai:doaj.org-article:b87b74760b13470096738da92389d6992021-11-25T18:10:35ZAutomated Exploration of Prebiotic Chemical Reaction Space: Progress and Perspectives10.3390/life111111402075-1729https://doaj.org/article/b87b74760b13470096738da92389d6992021-10-01T00:00:00Zhttps://www.mdpi.com/2075-1729/11/11/1140https://doaj.org/toc/2075-1729Prebiotic 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.Siddhant SharmaAayush AryaRomulo CruzHenderson James Cleaves IIMDPI AGarticleprebiotic chemistryautomated chemical space searcheschemical reaction networkscomputational modellingnetwork autocatalysisself-replicating structuresScienceQENLife, Vol 11, Iss 1140, p 1140 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	prebiotic chemistry automated chemical space searches chemical reaction networks computational modelling network autocatalysis self-replicating structures Science Q
spellingShingle	prebiotic chemistry automated chemical space searches chemical reaction networks computational modelling network autocatalysis self-replicating structures Science Q Siddhant Sharma Aayush Arya Romulo Cruz Henderson James Cleaves II Automated Exploration of Prebiotic Chemical Reaction Space: Progress and Perspectives
description	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.
format	article
author	Siddhant Sharma Aayush Arya Romulo Cruz Henderson James Cleaves II
author_facet	Siddhant Sharma Aayush Arya Romulo Cruz Henderson James Cleaves II
author_sort	Siddhant Sharma
title	Automated Exploration of Prebiotic Chemical Reaction Space: Progress and Perspectives
title_short	Automated Exploration of Prebiotic Chemical Reaction Space: Progress and Perspectives
title_full	Automated Exploration of Prebiotic Chemical Reaction Space: Progress and Perspectives
title_fullStr	Automated Exploration of Prebiotic Chemical Reaction Space: Progress and Perspectives
title_full_unstemmed	Automated Exploration of Prebiotic Chemical Reaction Space: Progress and Perspectives
title_sort	automated exploration of prebiotic chemical reaction space: progress and perspectives
publisher	MDPI AG
publishDate	2021
url	https://doaj.org/article/b87b74760b13470096738da92389d699
work_keys_str_mv	AT siddhantsharma automatedexplorationofprebioticchemicalreactionspaceprogressandperspectives AT aayusharya automatedexplorationofprebioticchemicalreactionspaceprogressandperspectives AT romulocruz automatedexplorationofprebioticchemicalreactionspaceprogressandperspectives AT hendersonjamescleavesii automatedexplorationofprebioticchemicalreactionspaceprogressandperspectives
_version_	1718411519553699840

Automated Exploration of Prebiotic Chemical Reaction Space: Progress and Perspectives

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