An open source computational workflow for the discovery of autocatalytic networks in abiotic reactions.

ABSTRACT: A central question in origins of life research is how non-entailed chemical processes, which simply dissipate chemical energy because they can do so due to immediate reaction kinetics and thermodynamics, enabled the origin of highly-entailed ones, in which concatenated kinetically and thermodynamically favorable processes enhanced some processes over others. Some degree of molecular complexity likely had to be supplied by environmental processes to produce entailed self-replicating processes. The origin of entailment, therefore, must connect to fundamental chemistry that builds molecular complexity. We present here an open-source chemoinformatic workflow to model abiological chemistry to discover such entailment. This pipeline automates generation of chemical reaction networks and their an

SUBMITTER: Arya A 

PROVIDER: S-EPMC9067619 | biostudies-literature | 2022 May

REPOSITORIES: biostudies-literature