Performance comparison of nonlinear and linear regression algorithms coupled with different attribute selection methods for quantitative structure - retention relationships modelling in micellar liquid chromatography

Published 2020 View Full Article

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Title
Performance comparison of nonlinear and linear regression algorithms coupled with different attribute selection methods for quantitative structure - retention relationships modelling in micellar liquid chromatography
Authors
Keywords
Mixed QSRR, Molecular descriptors, Machine learning, Retention prediction, Hyper-parameter optimization, MLC
Journal
JOURNAL OF CHROMATOGRAPHY A
Volume 1623, Issue -, Pages 461146
Publisher
Elsevier BV
Online
2020-04-29
DOI
10.1016/j.chroma.2020.461146

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