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

DOI10.1007/S10910-010-9734-YzbMATH Open1211.92069OpenAlexW1999947692MaRDI QIDQ626470FDOQ626470

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

Recommendations

• A segmented principal component analysis -- regression approach to QSAR study of peptides
• QSAR analysis of 1,4-dihydro-4-oxo-1-(2-thiazolyl)-1,8-naphthyridines exhibiting anticancer activity by optimal SMILES-based descriptors
• Application to QSAR studies of 2-furylethylene derivatives
• QSAR prediction of HIV-1 protease inhibitory activities using docking derived molecular descriptors
• Quantitative structure activity relationship study of inhibitory activities of 5-lipoxygenase and design new compounds by different chemometrics methods

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)

Cites Work

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

Cited In (5)

• QSAR analysis of 1,4-dihydro-4-oxo-1-(2-thiazolyl)-1,8-naphthyridines exhibiting anticancer activity by optimal SMILES-based descriptors
• 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
• A segmented principal component analysis -- regression approach to QSAR study of peptides
• Quantitative structure activity relationship study of inhibitory activities of 5-lipoxygenase and design new compounds by different chemometrics methods

Uses Software

• SAS
• SAS/STAT

This page was built for publication: Quantitative structure-activity relationship studies of boron-containing dipeptide proteasome inhibitors using calculated mathematical descriptors

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q626470)