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. 2013 Jul 11;9(7):e1003098. doi: 10.1371/journal.pcbi.1003098

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© 2013 Noor et al

This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are properly credited.

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The CDF of the absolute-value residuals for both group contribution (, pink) and component contribution (, purple). The reactions were separated to ones which are (A) linearly-dependent on the set of all other reactions ( is in the range of , the stoichiometric matrix of all reactions except ), and (B) to ones which are linearly-independent (and thus component contribution uses group decompositions for at least part of the reaction). We found an 80% reduction in the median for the former set and no significant change for the latter (p-value = ).

Inline graphic — The CDF of the absolute-value residuals for both group contribution (, pink) and component contribution (, purple). The reactions were separated to ones which are (A) linearly-dependent on the set of all other reactions ( is in the range of , the stoichiometric matrix of all reactions except ), and (B) to ones which are linearly-independent (and thus component contribution uses group decompositions for at least part of the reaction). We found an 80% reduction in the median for the former set and no significant change for the latter (p-value = ).