Ridge regression coupled with a new uninformative variable elimination algorithm as a new descriptor screening method: Application of data reduction in QSAR study of some sulfonated derivatives as c-Met inhibitors

2022/11/14 by Mostafa Lotfi, M. Lotfi, M. Arab Chamjangali +3
Chemistry · Computer Science · Mathematics · Medicine · #Algorithm #Analytical Methods in Pharmaceuticals #Artificial intelligence #Computational Drug Discovery Methods #Computer science #Data set #Drug Transport and Resistance Mechanisms #Elastic net regularization #Feature selection #Linear regression #Machine learning #Mathematics #Quantitative structure–activity relationship #Regression #Ridge #Scad #Statistics #Test set #Variable (mathematics) #Variable elimination

paper · doi:10.1016/j.chemolab.2022.104714

openalex publication_date 2022/11/14 · crossref created 2022/11/14 · crossref issued 2023/01/01 · crossref published 2023/01/01 · crossref published-print 2023/01/01 · crossref deposited 2025/09/30 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05 · crossref indexed 2026/08/05

Citations

• The Coding of the Three-Dimensional Structure of Molecules by Molecular Transforms and Its Application to Structure-Spectra Correlations and Studies of Biological Activity
• Quantum-Chemical Descriptors in QSAR/QSPR Studies
• NOTES ON CONTINUOUS STOCHASTIC PHENOMENA
• Ridge Regression: Biased Estimation for Nonorthogonal Problems