Search PubMed⌕ Search

PubMed · 3935772

Residuals in multiple regression analysis.

Abstract

An examination of residuals can be used as a technique to determine the best model for use in multiple-regression analysis. In addition to R2 and the Fisher F ratio, a complete analysis of residuals has been used by statisticians for many years to estimate bias and to choose the best equation to fit physicochemical as well as biological and psychosociological data. However, residual analysis has seldom appeared in studies in pharmaceutics, pharmacology, or medicinal chemistry. This report gives two examples to show the usefulness of residual analysis in the pharmaceutical sciences.

Explore related subjects

Keep this discovery

Explore connections, maps & timelines

BibTeXRIS

Y J Jeng, A Martin. 1985. Residuals in multiple regression analysis.. https://doi.org/10.1002/jps.2600741006

Cite the original work for its findings. Save a collection to share your selection of sources.

KEEP EXPLORING

Related citations

Structure-activity relationship study of prion inhibition by 2-aminopyridine-3,5-dicarbonitrile-based compounds: parallel synthesis, bioactivity, and in vitro pharmacokinetics.

2-Aminopyridine-3,5-dicarbonitrile compounds were previously identified as mimetics of dominant-negative prion protein mutants and inhibit prion replication in cultured cells. Here, we report findings from a comprehensive structure-activity relationship study of the 6-aminopyridine-3,5-dicarbonitrile scaffold. We identify compounds with significantly improved bioactivity (approximately 40-fold) against replication of the infectious prion isoform (PrPSc) and suitable pharmacokinetic profiles to warrant evaluation in animal models of prion disease.

Aminopyridines↗

Structural assignment of disialylated biantennary N-glycan isomers derivatized with 2-aminopyridine using negative-ion multistage tandem mass spectral matching.

To investigate the possibility of structural assignment based on negative-ion multistage tandem mass (MS(n)) spectral matching, four isomers of disialylated biantennary N-glycans (alpha2-6 and/or alpha2-3 linked sialic acid on alpha1-6 and alpha1-3 antennae) derivatized with 2-aminopyridine (PA) were analyzed by employing high-performance liquid chromatography/electrospray ionization linear ion trap time-of-flight mass spectrometry (HPLC/ESI-LIT-TOFMS), which uses helium gas for ion trapping and collision-induced dissociation (CID). It is shown that the MS(2) spectra derived from each precursor ion [M-2H](2-) are reproducible and useful for distinguishing the four isomers. Thus, they can be assigned by negative-ion MS(2) spectral matching based on correlation coefficients. In addition, MS(3) spectra derived from D-type fragment ions clearly differentiate the alpha2-3- or alpha2-6-linked sialic acid on the alpha1-6 antenna due to their characteristic spectral patterns. The C(4)-type fragment ions, which are produced from both the alpha1-6 and alpha1-3 antennae, show the characteristic MS(3) spectra reflecting alpha2-3- or alpha2-6- linkage type or a mixture of both types. Thus, the differentiation and assignment of these disialylated biantennary N-glycan isomers can also be supported with the MS(3) spectra of C(4)- and D-type ions.

Aminopyridines↗

Ultrafast deactivation processes in aminopyridine clusters: excitation energy dependence and isotope effects.

Fast excited-state relaxation in H-bonded aminopyridine clusters occurs via hydrogen transfer in the excited state. We used femtosecond pump-probe spectroscopy to characterize the excited-state reaction coordinate. Considerable isotope effects for partially deuterated clusters indicate that H-transfer is the rate-limiting step and validate ab initio calculations in the literature. A nonmonotonous dependence on the excitation energy, however, disagrees with the picture of a simple barrier along the reaction coordinate. An aminopyridine dimer serves as a model for Watson-Crick base pairs, where similar reactions have been predicted by theory.

Aminopyridines↗