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Comparison of Ridge Regression, Partial Least-Squares, Pairwise Correlation, Forward- and Best Subset Selection Methods for Prediction of Retention Indices for Aliphatic Alcohols

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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New molecular descriptors for 2D and 3D structures. Theory
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Generalization of pair correlation method (PCM) for non‐parametric variable selection
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Finding subsets which fit well
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Discrimination between linear and non-linear models describing retention data of alkylbenzenes in gas-chromatography
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Application of target factor analysis of gas chromatography. Reproduction, prediction and classification
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Unified equation between Kováts indices on different stationary phases for select types of compounds
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Empirical correlations between gas-chromatographic retention data and physical or topological properties of solute molecules
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Modelling of gas chromatographic retention indices using counterpropagation neural networks
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Traditional versus WHIM molecular descriptors in QSAR approaches applied to fish toxicity studies
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Modelling and prediction of soil sorption coefficients of non-ionic organic pesticides by molecular descriptors
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Chemometric methods in molecular design
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Conditional Fisher's exact test as a selection criterion for pair-correlation method. Type I and Type II errors
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3D-modelling and prediction by WHIM descriptors. Part 9. Chromatographic relative retention time and physico-chemical properties of polychlorinated biphenyls (PCBs)
inferredcites →https://doi.org/10.1021/ac00128a020openalex-snapshot
Prediction of Kovats retention index of saturated alcohols on stationary phases of different polarity
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Prediction of Anti-HIV-1 Activity of a Series of Tetrapyrrole Molecules
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The Characterization of Chemical Structures Using Molecular Properties. A Survey
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Discussion: PLS in Chemical Practice
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Variable selection using pair-correlation method. Environmental applications
inferredcites →https://doi.org/10.1198/tech.2003.s144openalex-snapshot
Subset Selection in Regression
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Prediction of Tumoricidal Activity and Accumulation of Photosensitizers in Photodynamic Therapy Using Multiple Linear Regression and Artificial Neural Networks¶
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Applied Regression Analysis (2nd ed).
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Applied Regression Analysis.

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Bibliography
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Current Modeling Methods Used in QSAR/QSPR
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Development of semi‐empirical electrotopological index using the atomic charge in QSPR/QSRR models for alcohols
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Sum of ranking differences for method discrimination and its validation: comparison of ranks with random numbers
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Comparison of Ridge Regression, Partial Least‐Squares, Pairwise Correlation, Forward‐ and Best Subset Selection Methods for Prediction of Retention Indices for Aliphatic Alcohols.
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Modeling of retention behaviors of most frequent components of essential oils in polar and non‐polar stationary phases
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Prediction of gas chromatographic retention indices of some amino acids and carboxylic acids from their structural descriptors
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Chemoinformatic regression methods and their applicability domain
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WHIM Descriptors of Shape
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Quantitative structure—chromatographic retention relationships
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Quantitative Structure–Retention Relationships
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Quantitative structure–property relationship study for estimation of quantitative calibration factors of some organic compounds in gas chromatography
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Predicting liquid chromatographic retention times of peptides from the Drosophila melanogaster proteome by machine learning approaches
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Quantitative structure–retention relationships XIV
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Quantitative structure–(chromatographic) retention relationships
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Prediction of retention indices for identification of fatty acid methyl esters
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Retention indices and quantum-chemical descriptors of aromatic compounds on stationary phases with chemically bonded copper complexes
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Least absolute shrinkage and selection operator and dimensionality reduction techniques in quantitative structure retention relationship modeling of retention in hydrophilic interaction liquid chromatography
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Investigating the impact of climate change on trend shifts of vegetation growth in Gilgit Baltistan
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Modelling methods and cross-validation variants in QSAR: a multi-level analysis$
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Partial least squares for dependent data
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Prediction of Number of Cases of 2019 Novel Coronavirus (COVID-19) Using Social Media Search Index
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Attraction of Adults of Cyclocephala lunulata and Cyclocephala barrerai (Coleoptera: Scarabaeoidea: Melolonthidae) towards Bacteria Volatiles Isolated from Their Genital Chambers
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