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. 2012 Sep 26;52(10):2516–2525. doi: 10.1021/ci300293f

Table 2. Descriptor Values and Percentage Difference in Values between Molecules (1) and (2) Depicted in Figure 6a.

method (1) (2) percentage difference
NPR1 0.0899 0.446 133%
NPR2 0.910 0.817 10.8%
Fsp3 0 0 0%
MolGlob 0.000000852 0.188 200%
PBF Score 0.00313 0.768 198%
a

Percentage difference is defined as the modulus of the difference divided by the average of two values.