. Author manuscript; available in PMC: 2010 Aug 1.

Published in final edited form as: J Chem Inf Model. 2009 Aug;49(8):1963–1973. doi: 10.1021/ci900144x

Table 4.

Statistical results from the CoMFA and three CoMSIA models.

Model

r²

q²

r²_test

R_{0}^{2}

R'_{0}^{2}

K′

CoMFA

0.971

0.925

0.889

0.866

0.997

0.889

1.001

CoMSIA1

0.979

0.945

0.924

0.920

0.997

0.924

1.002

CoMSIA2

0.968

0.910

0.888

0.862

1.000

0.887

0.998

CoMSIA3

0.967

0.898

0.862

0.822

0.998

0.860

1.000