Jackknife-Based Selection of Gram−Schmidt Orthogonalized Descriptors in QSAR-Reference-Cited by-同舟云学术

Jackknife-Based Selection of Gram−Schmidt Orthogonalized Descriptors in QSAR

Published:2010-11-11 Issue:12 Volume:50 Page:2055-2066
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Kompany-Zareh Mohsen¹,Omidikia Nematollah¹

Affiliation:

1. Department of Chemistry, Institute for Advanced Studies in Basic Sciences (IASBS), Zanjan 45137-66731, Iran and Department of Food Science, Faculty of Life Sciences, University of Copenhagen, Rolighedsvej 30,1958 Frederiksberg C, Denmark

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ci100169p

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1. A wavelength selection method based on randomization test for near-infrared spectral analysis

2. The prediction error in CLS and PLS: the importance of feature selection prior to multivariate calibration

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5. Quantitative Structure–Activity Relationship (QSAR) modeling of juvenile hormone activity: Comparison of validation procedures

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