A new redundant variable pruning approach—minor latent variable perturbation–PLS used for QSAR studies on anti-HIV drugs
Author:
Publisher
Elsevier BV
Subject
General Chemical Engineering,Applied Microbiology and Biotechnology,Biotechnology
Reference23 articles.
1. Genetic Algorithm-Based Method for Selecting Wavelengths and Model Size for Use with Partial Least-Squares Regression: Application to Near-Infrared Spectroscopy
2. Synthesis and Anti-HIV-1 Activity of 4,5,6,7-Tetrahydro-5-methylimidazo[4,5,1-jk][1,4]benzodiazepin-2(1H)-one (TIBO) Derivatives. 3
3. Optimal Wavelength Range Selection by a Genetic Algorithm for Discrimination Purposes in Spectroscopic Infrared Imaging
4. Elimination of Uninformative Variables for Multivariate Calibration
5. Crossvalidation, Bootstrapping, and Partial Least Squares Compared with Multiple Regression in Conventional QSAR Studies
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1. Overview and Recent Advances in QSAR Studies;Chemometrics Applications and Research;2016-03-28
2. Multidimensional (3D/4D-QSAR) probability-guided pharmacophore mapping: investigation of activity profile for a series of drug absorption promoters;RSC Advances;2016
3. Structure-Based Modeling of Dye-Fiber Affinity with SOM-4D-QSAR Paradigm: Application to Set of Anthraquinone Derivatives;Combinatorial Chemistry & High Throughput Screening;2014-02-05
4. Conformation depends on 4D-QSAR analysis using EC–GA method: pharmacophore identification and bioactivity prediction of TIBOs as non-nucleoside reverse transcriptase inhibitors;Journal of Enzyme Inhibition and Medicinal Chemistry;2012-05-16
5. An efficient method for determining the chemical rank of three-way fluorescence data arrays;Chemometrics and Intelligent Laboratory Systems;2010-10
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