Additional file 3 – Modularity: Optimized partitioning and weighted calculation
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چکیده
We already demonstrated that the modularity Q observed for the given metabolite classes is significantly higher than for a random association network (which we obtained by edge reshuffling, see main manuscript). In addition, we were interested in how closely the given metabolite classes represent an optimal partitioning of nodes in the network. Therefore we took a heuristic optimization approach and compared the results with the given six metabolite classes.
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Shanghai Engineering Research Center of Development, East China Normal Univers [email protected]; [email protected] School of Chemistry and Chemical Eng 530004, China NYU-ECNU Center for Computational C 200062, China † Electronic supplementary information ( optimized structures, experimental data 984118. For ESI and crystallographic data DOI: 10.1039/c7sc00257b ‡ These authors contributed equ...
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