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Fig. 12 | Journal of Cheminformatics

Fig. 12

From: Scaffold Generator: a Java library implementing molecular scaffold functionalities in the Chemistry Development Kit (CDK)

Fig. 12

Performance snapshot of scaffold forest and scaffold network construction in COCONUT subset range of molecule number. The graph visualises the processing time it took to construct a scaffold forest or scaffold network depending on the number of input molecules taken from COCONUT or DrugBank. Exponential approximations have been applied to assess the scaling behaviour of the processes. The given range of the number of molecules is adjusted to the size of the curated COCONUT subset (39,324 molecules)

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