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Thereof 296 are the reverse of another reaction template.
Fig. 5 Schematic overview of the reaction template extraction algorithm.
13321_2018_269_MOESM5_ESM.xml Additional file 5. Reaction template output for the methyl butanoate network.
13321_2018_269_MOESM6_ESM.xml Additional file 6. Reaction template output for the RMG database analysis.
Every single extracted reaction template was found to be compatible with Genesys.
A reaction is created easily by the addition of information to a reaction template (Fig. 8).
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From that network, 97 reaction templates are extracted.
One way of doing this is by using reaction templates.
Although there is a large difference in number of reaction templates, it should be noted that the extracted reaction templates are much more specific.
Investigation of the described chemistry by the encoded reaction templates and the extracted reaction templates learns that in the end, they describe the same chemistry.
Nonetheless, most reaction network generation tools rely on user-defined reaction templates.
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