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. 2017 Mar 4;9:14. doi: 10.1186/s13321-017-0201-7

Table 2.

Matrices for conversion of isotopomer and mass fraction vectors

IM¯n,m n=0 n=1 n=2
m=0 1 1 1
m=1 1 1001 100001100001
m=2 1 100010001 100000000010100000001010100000001010000000001