Use of cluster and principal component analysis in quantitative structure-retention relationship study

Esther Forgács; Tibor Cserháti

doi:10.1016/s0003-2670(97)00034-2

Use of cluster and principal component analysis in quantitative structure-retention relationship study

Analytica Chimica Acta ◽

10.1016/s0003-2670(97)00034-2 ◽

1997 ◽

Vol 348 (1-3) ◽

pp. 481-487 ◽

Cited By ~ 15

Author(s):

Esther Forgács ◽

Tibor Cserháti

Keyword(s):

Principal Component Analysis ◽

Principal Component ◽

Component Analysis ◽

Quantitative Structure ◽

Structure Retention ◽

Relationship Study ◽

Quantitative Structure Retention Relationship

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Application of principal component analysis to the study of quantitative structure-activity relationships by means of multiple regression analysis.

Chemical and Pharmaceutical Bulletin ◽

10.1248/cpb.33.1488 ◽

1985 ◽

Vol 33 (4) ◽

pp. 1488-1495 ◽

Cited By ~ 8

Author(s):

TANEKAZU KUBOTA ◽

JIRO HANAMURA ◽

KENJI KANO ◽

BUNJI UNO

Keyword(s):

Principal Component Analysis ◽

Regression Analysis ◽

Multiple Regression Analysis ◽

Multiple Regression ◽

Principal Component ◽

Component Analysis ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

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Use of Topological Indices of Organic Sulfur Compounds in Quantitative Structure-Retention Relationship Study

QSAR & Combinatorial Science ◽

10.1002/qsar.200530008 ◽

2005 ◽

Vol 24 (9) ◽

pp. 1026-1032 ◽

Cited By ~ 8

Author(s):

F. Safa ◽

M. R. Hadjmohammadi

Keyword(s):

Sulfur Compounds ◽

Topological Indices ◽

Organic Sulfur ◽

Quantitative Structure ◽

Organic Sulfur Compounds ◽

Structure Retention ◽

Relationship Study ◽

Quantitative Structure Retention Relationship

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Quantitative structure-retention relationship study of the gas chromatographic retention indices of saturated esters on different stationary phases using novel topological indices

Analytica Chimica Acta ◽

10.1016/j.aca.2005.12.058 ◽

2006 ◽

Vol 561 (1-2) ◽

pp. 96-102 ◽

Cited By ~ 23

Author(s):

Chunhui Lu ◽

Weimin Guo ◽

Chunsheng Yin

Keyword(s):

Stationary Phases ◽

Retention Indices ◽

Topological Indices ◽

Chromatographic Retention ◽

Quantitative Structure ◽

Gas Chromatographic Retention Indices ◽

Chromatographic Retention Indices ◽

Structure Retention ◽

Relationship Study ◽

Quantitative Structure Retention Relationship

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Quantitative structure–retention relationship study of analgesic drugs by application of combined data splitting-feature selection strategy and genetic algorithm-partial least square

Journal of the Iranian Chemical Society ◽

10.1007/s13738-011-0005-z ◽

2012 ◽

Vol 9 (1) ◽

pp. 53-60 ◽

Cited By ~ 9

Author(s):

Bahram Hemmateenejad ◽

Katayoun Javidnia ◽

Ramin Miri ◽

Maryam Elyasi

Keyword(s):

Genetic Algorithm ◽

Partial Least Square ◽

Least Square ◽

Selection Strategy ◽

Quantitative Structure ◽

Analgesic Drugs ◽

Structure Retention ◽

Relationship Study ◽

Quantitative Structure Retention Relationship ◽

Combined Data

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Quantitative structure-retention relationship study of tetrazolium salts on alumina support

Biomedical Chromatography ◽

10.1002/(sici)1099-0801(199803/04)12:2<61::aid-bmc721>3.0.co;2-u ◽

1998 ◽

Vol 12 (2) ◽

pp. 61-64 ◽

Cited By ~ 1

Author(s):

Tibor Cserh�ti ◽

Agnes Kosa ◽

Sandor Balogh

Keyword(s):

Quantitative Structure ◽

Alumina Support ◽

Tetrazolium Salts ◽

Structure Retention ◽

Relationship Study ◽

Quantitative Structure Retention Relationship

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Use of principal component analysis and cluster analysis in quantitative structure-activity relationships: A comparative study

Chemometrics and Intelligent Laboratory Systems ◽

10.1016/0169-7439(94)00018-2 ◽

1994 ◽

Vol 24 (2) ◽

pp. 169-176 ◽

Cited By ~ 5

Author(s):

Y. Darwish ◽

T. Cserháti ◽

E. Forgács

Keyword(s):

Principal Component Analysis ◽

Cluster Analysis ◽

Comparative Study ◽

Principal Component ◽

Component Analysis ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships ◽

And Cluster Analysis

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A segmented principal component analysis–regression approach to quantitative structure–activity relationship modeling

Analytica Chimica Acta ◽

10.1016/j.aca.2009.05.003 ◽

2009 ◽

Vol 646 (1-2) ◽

pp. 30-38 ◽

Cited By ~ 18

Author(s):

Bahram Hemmateenejad ◽

Maryam Elyasi

Keyword(s):

Principal Component Analysis ◽

Principal Component ◽

Component Analysis ◽

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Activity Relationship ◽

Quantitative Structure ◽

Structure Activity ◽

Regression Approach

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Quantitative Structure–Retention Relationship Study of Some 5-Substituted-5-Phenylhydantoins

Chromatographia ◽

10.1007/s10337-010-1831-3 ◽

2011 ◽

Vol 73 (1-2) ◽

pp. 51-57 ◽

Cited By ~ 2

Author(s):

Tatjana Djaković-Sekulić ◽

Zagorka Lozanov-Crvenković ◽

Anamarija Mandić ◽

Gordana Uščumlić ◽

Svetlana Keleman

Keyword(s):

Quantitative Structure ◽

Structure Retention ◽

Relationship Study ◽

Quantitative Structure Retention Relationship

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Quantitative structure–retention relationship study of α-, β1-, and β2-agonists using multiple linear regression and partial least-squares procedures

Analytica Chimica Acta ◽

10.1016/j.aca.2004.02.019 ◽

2004 ◽

Vol 512 (1) ◽

pp. 165-171 ◽

Cited By ~ 20

Author(s):

A.G Fragkaki ◽

M.A Koupparis ◽

C.G Georgakopoulos

Keyword(s):

Linear Regression ◽

Multiple Linear Regression ◽

Least Squares ◽

Partial Least Squares ◽

Quantitative Structure ◽

Structure Retention ◽

Relationship Study ◽

Β2 Agonists ◽

Quantitative Structure Retention Relationship

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Use of a Modified Nonlinear Mapping Method in Quantitative Structure Retention Relationship Study

Journal of Liquid Chromatography &amp Related Technologies ◽

10.1080/10826079808003596 ◽

1998 ◽

Vol 21 (16) ◽

pp. 2523-2534 ◽

Cited By ~ 14

Author(s):

E. Forgács ◽

A. Kósa ◽

G. Csiktusnádi Kiss ◽

T. Cserhati ◽

R. Kaliszan ◽

...

Keyword(s):

Mapping Method ◽

Nonlinear Mapping ◽

Quantitative Structure ◽

Structure Retention ◽

Relationship Study ◽

Quantitative Structure Retention Relationship

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