Fig. 5
From: Pickaxe: a Python library for the prediction of novel metabolic reactions
Results of a similarity sampling expansion of YMDB compounds less than 600Â g/mol using 353 JN1224 rules. A set of 250 KEGG compounds containing between four and nine carbon atoms not in the YMDB database were selected as targets. a The total number of compounds produced per generation. Before each generation, 2000 compounds were sampled to be reacted. b The total number of targets produced per generation and c the similarity distribution of each resultant network. This distribution consists of the maximum similarity value of each network compound to the targets. The vertical line signifies the mean similarity score