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Fig. 2 | Journal of Cheminformatics

Fig. 2

From: Molecular structures enumeration and virtual screening in the chemical space with RetroPath2.0

Fig. 2

Identical rules. There are two different ways (two different possible matchings for the reactants of the rules) of applying rules R a and R b, each rule produces molecules M1 and M2. The molecules produced by R a are identical to those produced by R b because the rules are identical. R a is identical to R b because when applying the one-to-one label mapping π(1, 2 , 3, 4) = 2, 1, 4, 3 on the edges of the R a one obtains the edges of R b

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