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Table 1 The connectivity test for an isomer of \(\text {C}_{6}\text {H}_{6}\) represented by matrix A (Fig. 7a)

From: MAYGEN: an open-source chemical structure generator for constitutional isomers based on the orderly generation principle

Node index

Neighbors

Former label

Minimum label

Enumeration

1

{1,2,3}

{1,2,3}

1

{1,1,1,4,5,6}

2

{2,5}

{1,5}

1

{1,1,1,4,1,6}

3

{3,4,6}

{1,4,6}

1

{1,1,1,1,1,1}

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Journal of Cheminformatics

ISSN: 1758-2946

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