Fig. 1 | Scientific Data

Fig. 1

From: Comprehensive exploration of graphically defined reaction spaces

Fig. 1The alternative text for this image may have been generated using AI.

Overview of the reaction data generation process. (a) An illustration of generating a graphically defined model reaction from a larger reacting molecule. (b) The number of cumulative (blue) and new (red) model reactions generated as the 413,519 initial PubChem reactants are processed. (c) A subset of the model reactions generated by enumerating elementary reactions of γ-ketohydroperoxide (KHP).

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