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Meringer, Markus (2016) 50 Years of Chemical Space Exploration Through Computation. GRC Origins of Life, 2016-01-17 - 2016-01-22, Galveston, TX, US.
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Official URL: https://www.grc.org/programs.aspx?id=14007
Abstract
From its very beginnings the development of algorithms for the enumeration of chemical space was closely related to NASA's early exobiology activities. The complete and non-redundant generation of all connectivity isomers corresponding to a given molecular formula was part of the DENDRAL program, established in the mid-1960s. In the 1970s mathematicians provided new techniques to increase efficiency of the first approaches, and starting with the 1990's implementations became available as software packages for customary computers. Recently these methods have been rediscovered for application in astrobiology and origins of life research, particularly for generating and analyzing virtual chemical compound libraries of amino acids and nucleotide analogs.
| Item URL in elib: | https://elib.dlr.de/102783/ | ||||||||
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| Document Type: | Conference or Workshop Item (Speech) | ||||||||
| Title: | 50 Years of Chemical Space Exploration Through Computation | ||||||||
| Authors: |
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| Date: | 2016 | ||||||||
| Refereed publication: | No | ||||||||
| Open Access: | Yes | ||||||||
| Gold Open Access: | No | ||||||||
| In SCOPUS: | No | ||||||||
| In ISI Web of Science: | No | ||||||||
| Status: | Published | ||||||||
| Keywords: | chemical space, structure generation algorithms, virtual libraries, amino acids, nucleotide analogs, origins of life, astrobiology | ||||||||
| Event Title: | GRC Origins of Life | ||||||||
| Event Location: | Galveston, TX, US | ||||||||
| Event Type: | international Conference | ||||||||
| Event Start Date: | 17 January 2016 | ||||||||
| Event End Date: | 22 January 2016 | ||||||||
| Organizer: | Gordon Research Conferences | ||||||||
| HGF - Research field: | Aeronautics, Space and Transport | ||||||||
| HGF - Program: | Space | ||||||||
| HGF - Program Themes: | Earth Observation | ||||||||
| DLR - Research area: | Raumfahrt | ||||||||
| DLR - Program: | R EO - Earth Observation | ||||||||
| DLR - Research theme (Project): | R - Atmospheric and climate research | ||||||||
| Location: | Oberpfaffenhofen | ||||||||
| Institutes and Institutions: | Remote Sensing Technology Institute > Atmospheric Processors | ||||||||
| Deposited By: | Meringer, Dr.rer.nat. Markus | ||||||||
| Deposited On: | 03 Feb 2016 13:27 | ||||||||
| Last Modified: | 24 Apr 2024 20:08 |
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