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Exploring astrobiology using in silico molecular structure generation

Meringer, Markus and Cleaves, H. James (2017) Exploring astrobiology using in silico molecular structure generation. Philosophical Transactions of the Royal Society A, 375 (2109), pp. 1-12. Royal Society Publishing. doi: 10.1098/rsta.2016.0344. ISSN 1364-503X.

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Official URL: http://rsta.royalsocietypublishing.org/content/375/2109/20160344


The origin of life is typically understood as a transition from inanimate or disorganized matter to self-organized, 'animate' matter. This transition probably took place largely in the context of organic compounds, and most approaches, to date, have focused on using the organic chemical composition of modern organisms as the main guide for understanding this process. However, it has gradually come to be appreciated that biochemistry, as we know it, occupies a minute volume of the possible organic "chemical space". As the majority of abiotic syntheses appear to make a large set of compounds not found in biochemistry, as well as an incomplete subset of those that are, it is possible that life began with a significantly different set of components. Chemical graph-based structure generation methods allow for exhaustive in silico enumeration of different compound types and different types of "chemical spaces" beyond those used by biochemistry, which can be explored to help understand the types of compounds biology uses, as well as to understand the nature of abiotic synthesis, and potentially design novel types of living systems.

Item URL in elib:https://elib.dlr.de/115540/
Document Type:Article
Title:Exploring astrobiology using in silico molecular structure generation
AuthorsInstitution or Email of AuthorsAuthor's ORCID iD
Meringer, MarkusMarkus.Meringer (at) dlr.dehttps://orcid.org/0000-0001-8526-2429
Cleaves, H. JamesEarth-Life Science Institute, Tokyo Institute of TechnologyUNSPECIFIED
Date:13 November 2017
Journal or Publication Title:Philosophical Transactions of the Royal Society A
Refereed publication:Yes
Open Access:Yes
Gold Open Access:No
In ISI Web of Science:Yes
DOI :10.1098/rsta.2016.0344
Page Range:pp. 1-12
Publisher:Royal Society Publishing
Keywords:chemical space, prebiotic chemistry, origin of life, biochemical evolution, molecular graph, chemoinformatics
HGF - Research field:Aeronautics, Space and Transport
HGF - Program:Space
HGF - Program Themes:Space Exploration
DLR - Research area:Raumfahrt
DLR - Program:R EW - Space Exploration
DLR - Research theme (Project):R - Explorationsstudien (old)
Location: Oberpfaffenhofen
Institutes and Institutions:Remote Sensing Technology Institute > Atmospheric Processors
Deposited By: Meringer, Dr.rer.nat. Markus
Deposited On:05 Dec 2017 10:08
Last Modified:06 Sep 2019 15:29

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