Design, Structure-Activity Relationships, and Computational Modeling Studies of a Series of α-Helix Biased, Ultra-Short Glucagon-like Peptide-1 Receptor Agonists.

The model statistics of p(F-test) ≈ 1.22 × 10 −6 , BEpot p( t -test) ≈ 1.85 × 10 −3 , BSvdw p( t -test) ≈ 0.0017, and BindPack1D p( t -test) ≈ 0.04 indicate that the model R 2 adj and individual contributions are statistically significant, although the BindPack1D term is only borderline significant.

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This is because the QSAR3 model has fewer terms, all terms are NOVA2-based and appear to make intuitive and theoretical physical sense, all terms are highly significant, and neither term exhibits strong collinearity.

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While also disappointing, the result for the 40% test set showed a trend in the right direction (R 2 pred (40%) = 0.23).

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