Quantitative structure-activity relationship studies of boron-containing dipeptide proteasome inhibitors using calculated mathematical descriptors

DOI10.1007/S10910-010-9734-YMaRDI QIDQ626470zbMATH OpenOpenAlexFDO

Authors Juan-Miguel Gracia

Publication date 18 February 2011

Published in Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/s10910-010-9734-y

zbMATH Keywords

ridge regressiontopological indicesatom pairCoMFA and CoMSIA methodsquantitative structure-activity relationship (QSAR)

Mathematics Subject Classification ID

Linear regression; mixed models (62J05) Ridge regression; shrinkage estimators (Lasso) (62J07) Biochemistry, molecular biology (92C40) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

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Cites work

• A Statistical View of Some Chemometrics Regression Tools
• Ridge Regression: Applications to Nonorthogonal Problems
• Ridge Regression: Biased Estimation for Nonorthogonal Problems

Cited in

(5)

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• A network-QSAR model for prediction of genetic-component biomarkers in human colorectal cancer
• Graphical and numerical representations of DNA sequences: Statistical aspects of similarity
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• Quantitative structure activity relationship study of inhibitory activities of 5-lipoxygenase and design new compounds by different chemometrics methods

Describes a project that uses

Uses Software

• SAS/STAT
• SAS

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