. Author manuscript; available in PMC: 2013 Jun 25.

Published in final edited form as: J Chem Inf Model. 2012 May 29;52(6):1637–1659. doi: 10.1021/ci300009z

Table 5.

Available regioselectivity signal (%) from the average number of observed and potential SOMs per substrate per dataset

1A2

2A6

2B6

2C19

2C8

2C9

2D6

2E1

3A4

merged

observed

1.9

1.5

1.6

1.7

1.6

1.7

1.9

2.0

potential

16.0

12.3

14.5

16.7

17.2

16.8

17.0

12.2

20.1

18.0

\frac{observed}{potential}

11.9%

12.2%

10.3%

9.6%

9.9%

10.1%

9.4%

13.9%

9.5%

11.1%