Expert system based on principal component analysis for the identification of molecular structures from vapor-phase infrared spectra.  1.  Theory.  Identification of alcohols

Expert System ◽

Vapor Phase ◽

Infrared Spectra ◽

Principal Component ◽

Component Analysis ◽

Molecular Structures

Transition temperatures and molecular structures of poly(methyl methacrylate) thin films by principal component analysis: comparison of isotactic and syndiotactic poly(methyl methacrylate)

Vibrational Spectroscopy ◽

10.1016/j.vibspec.2004.06.005 ◽

2005 ◽

Vol 37 (1) ◽

pp. 69-76 ◽

Cited By ~ 12

Author(s):

Hyeon Suk Shin ◽

Hyeseon Lee ◽

Chi-Hyuck Jun ◽

Young Mee Jung ◽

Seung Bin Kim

Keyword(s):

Thin Films ◽

Methyl Methacrylate ◽

Principal Component ◽

Component Analysis ◽

Molecular Structures ◽

Transition Temperatures ◽

Poly Methyl Methacrylate

Multicomponent Analysis of Near-Infrared Spectra of Anesthetized Rat Head: (I) Estimation of Component Spectra by Principal Component Analysis

Oxygen Transport to Tissue XI - Advances in Experimental Medicine and Biology ◽

10.1007/978-1-4684-5643-1_1 ◽

1989 ◽

pp. 3-10 ◽

Cited By ~ 5

Author(s):

Ryuichiro Araki ◽

Ichiro Nashimoto

Keyword(s):

Infrared Spectra ◽

Near Infrared ◽

Principal Component ◽

Component Analysis ◽

Multicomponent Analysis ◽

Reconstruction of constituent spectra for individual samples through principal component analysis of near-infrared spectra

The Analyst ◽

10.1039/an9891400683 ◽

1989 ◽

Vol 114 (6) ◽

pp. 683 ◽

Cited By ~ 3

Author(s):

Ian A. Cowe ◽

James W. McNicol ◽

D. Clifford Cuthbertson

Keyword(s):

Infrared Spectra ◽

Near Infrared ◽

Principal Component ◽

Component Analysis ◽

Noise Perturbation in Functional Principal Component Analysis Filtering for Two-Dimensional Correlation Spectroscopy: Its Theory and Application to Infrared Spectra of a Poly(3-hydroxybutyrate) Thin Film

The Journal of Physical Chemistry A ◽

10.1021/jp062492t ◽

2006 ◽

Vol 110 (39) ◽

pp. 11279-11290 ◽

Cited By ~ 4

Author(s):

Yun Hu ◽

Boyan Li ◽

Harumi Sato ◽

Isao Noda ◽

Yukihiro Ozaki

Keyword(s):

Thin Film ◽

Infrared Spectra ◽

Principal Component ◽

Component Analysis ◽

Correlation Spectroscopy ◽

Functional Principal Component Analysis ◽

Two Dimensional ◽

Noise Perturbation ◽

Functional Principal Component

Spectral principal component analysis of mid-infrared spectra of a sample of PG QSOs

Monthly Notices of the Royal Astronomical Society ◽

10.1093/mnras/stv2936 ◽

2016 ◽

Vol 456 (4) ◽

pp. 4081-4088 ◽

Cited By ~ 5

Author(s):

Wei-Hao Bian ◽

Zhi-Cheng He ◽

Richard Green ◽

Yong Shi ◽

Xue Ge ◽

...

Keyword(s):

Spectral Principal Component Analysis

Infrared Spectra ◽

Principal Component ◽

Component Analysis ◽

Mid Infrared ◽

Confirmation of Changes in Human Meibum Lipid Infrared Spectra with Age Using Principal Component Analysis

Current Eye Research ◽

10.3109/02713683.2010.490895 ◽

2010 ◽

Vol 35 (9) ◽

pp. 778-786 ◽

Cited By ~ 16

Author(s):

Douglas Borchman ◽

Gary N. Foulks ◽

Marta C. Yappert

Keyword(s):

Infrared Spectra ◽

Principal Component ◽

Component Analysis

Principal component analysis of near-infrared spectra of alteration products in calcareous samples: An application to works of art

Chemometrics and Intelligent Laboratory Systems ◽

10.1016/s0169-7439(97)00063-4 ◽

1997 ◽

Vol 39 (1) ◽

pp. 115-121 ◽

Cited By ~ 17

Author(s):

M. Bacci ◽

R. Chiari ◽

S. Porcinai ◽

B. Radicati

Keyword(s):

Infrared Spectra ◽

Near Infrared ◽

Principal Component ◽

Component Analysis ◽

Works Of Art ◽

Expert system based on principal components analysis for the identification of molecular structures from vapor-phase infrared spectra. 2. Identification of carbonyl-containing functionalities

Analytical Chemistry ◽

10.1021/ac00030a016 ◽

1992 ◽

Vol 64 (6) ◽

pp. 656-663 ◽

Cited By ~ 13

Author(s):

Erik J. Hasenoehrl ◽

Jonathan H. Perkins ◽

Peter R. Griffiths

Keyword(s):

Expert System ◽

Principal Components Analysis ◽

Vapor Phase ◽

Infrared Spectra ◽

Principal Components ◽

Molecular Structures ◽

Components Analysis

Comparison of Principal Component Analysis and Generalized Two-Dimensional Correlation Spectroscopy: Spectral Analysis of Synthetic Model System and Near-Infrared Spectra of Milk

Applied Spectroscopy ◽

10.1366/0003702011951399 ◽

2001 ◽

Vol 55 (1) ◽

pp. 29-38 ◽

Cited By ~ 16

Author(s):

Slobodan Šašić ◽

Yukihiro Ozaki

Keyword(s):

Spectral Analysis ◽

Infrared Spectra ◽

Near Infrared ◽

Principal Component ◽

Component Analysis ◽

Model System ◽

Correlation Spectroscopy ◽

Two Dimensional ◽

Principal component analysis of the infrared spectra of mixtures

Analytica Chimica Acta ◽

10.1016/s0003-2670(01)84040-x ◽

1978 ◽

Vol 103 (3) ◽

pp. 213-221 ◽

Cited By ~ 24

Author(s):

Gregory T. Rasmussen ◽

Thomas L. Isenhour ◽

Steven R. Lowry ◽

Garry L. Ritter

Keyword(s):

Infrared Spectra ◽

Principal Component ◽

Component Analysis