The molecular descriptor logSumAA and its alternatives in QSRR models to predict the retention of peptides
Author:
Publisher
Elsevier BV
Subject
Clinical Biochemistry,Spectroscopy,Drug Discovery,Pharmaceutical Science,Analytical Chemistry
Reference36 articles.
1. Prediction of peptide retention times in high-pressure liquid chromatography on the basis of amino acid composition
2. The isolation of peptides by high-performance liquid chromatography using predicted elution positions
3. Prediction of peptide retention times in reversed-phase high-performance liquid chromatography I. Determination of retention coefficients of amino acid residues of model synthetic peptides
4. Prediction of peptide retention times in reversed-phase high-performance liquid chromatography II. Correlation of observed and predicted peptide retention times factors and influencing the retention times of peptides
5. Comparative prediction of the retention behaviour of small peptides in several reversed-phase high-performance liquid chromatography columns by using partial least squares and multiple linear regression
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2. Improvement of quantitative structure–retention relationship models for chromatographic retention prediction of peptides applying individual local partial least squares models;Talanta;2020-11
3. Examination of Dimension Reduction Performances of PLSR and PCR Techniques in Data with Multicollinearity;Iranian Journal of Science and Technology, Transactions A: Science;2018-07-02
4. QSRR Modeling for Metabolite Standards Analyzed by Two Different Chromatographic Columns Using Multiple Linear Regression;Metabolites;2017-02-09
5. A Comparative QSRR Study on Enantioseparation of Ethanol Ester Enantiomers in HPLC Using Multivariate Image Analysis, Quantum Mechanical and Structural Descriptors;Journal of the Chinese Chemical Society;2016-12-29
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