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Table 1 Parameters of the multivariate linear regression between three chemical properties and the components of the compounds vectors.

From: Quantitative global studies of reactomes and metabolomes using a vectorial representation of reactions and chemical compounds

 

R

R2

logP

0.902

0.814

MW

0.977

0.955

TPSA

0.977

0.954

  1. R is the Pearson correlation coefficient.
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BMC Systems Biology

ISSN: 1752-0509

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