An open source computational workflow for the discovery of autocatalytic networks in abiotic reactions
Open Access
- 23 March 2022
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Chemical Science
- Vol. 13 (17) , 4838-4853
Abstract
We present an open-source chemoinformatic workflow to generate and analyze complex abiological chemical networks to discover novel compounds and autocatalytic processes. We demonstrate this pipeline's capabilities against a well-studied model system.Keywords
Funding Information
- John Templeton Foundation
- Novo Nordisk Fonden (NNF19OC0057834)
- Det Frie Forskningsråd (DFF-0135-00420B)
- National Science Foundation (DMR-1644779)
- Fondo Nacional de Desarrollo Científico, Tecnológico y de Innovación Tecnológica (Convenio 208-2015-FONDECYT)
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