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Table 2 Performance of proteochemometric models. Performance of proteochemometric models derived using wild-type and multiple chimeric receptors interacting with melanocortins, α-MSH, NDP-MSH and [125]-NDP-MSH. Shown are results from the model based on binary receptor descriptors (A) and the model based on physicochemical description of amino acids of the transmembrane regions presumed to face in a direction opposite to the membrane (B) (see Methods for further details).

From: Prediction of indirect interactions in proteins

Model

R2

RMSE (log(M))

Q2

iR2

iQ2

eQ2

A

0.91

0.45

0.83

0.49

-0.21

0.84

B

0.91

0.46

0.82

0.46

-0.25

0.85