Structure activity relationships using molecular connectivity indices with principal component analysis

Principal Component ◽

Component Analysis ◽

Molecular Connectivity ◽

Molecular Connectivity Indices ◽

Structure Activity ◽

Connectivity Indices

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):

Regression Analysis ◽

Multiple Regression Analysis ◽

Multiple Regression ◽

Principal Component ◽

Component Analysis ◽

Quantitative Structure ◽

Quantitative Structure Activity Relationships

Structure Activity ◽

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):

Cluster Analysis ◽

Comparative Study ◽

Principal Component ◽

Component Analysis ◽

Quantitative Structure ◽

Structure Activity ◽

Quantitative Structure Activity Relationships ◽

And Cluster Analysis

Comparison Between Neutral Networks (NN) and Principal Component Analysis (PCA): Structure—Activity Relationships of 1,4-Dihydropyridine Calcium Channel Antagonists (Nifedipine Analogues).

ChemInform ◽

10.1002/chin.200321209 ◽

2003 ◽

Vol 34 (21) ◽

Author(s):

Yuji Takahata ◽

Maria Cristina Andreazza Costa ◽

Anderson Coser Gaudio

Keyword(s):

Calcium Channel ◽

Principal Component ◽

Component Analysis ◽

Calcium Channel Antagonists ◽

Neutral Networks ◽

Structure Activity ◽

Nifedipine Analogues

Comparison between Neural Networks (NN) and Principal Component Analysis (PCA): Structure Activity Relationships of 1,4-Dihydropyridine Calcium Channel Antagonists (Nifedipine Analogues)

Journal of Chemical Information and Computer Sciences ◽

10.1021/ci010117m ◽

2003 ◽

Vol 43 (2) ◽

pp. 540-544 ◽

Cited By ~ 16

Author(s):

Yuji Takahata ◽

Maria Cristina Andreazza Costa ◽

Anderson Coser Gaudio

Keyword(s):

Neural Networks ◽

Calcium Channel ◽

Principal Component ◽

Component Analysis ◽

Calcium Channel Antagonists ◽

Structure Activity ◽

Nifedipine Analogues

Recommendations for Reporting the Results of Principal Component Analysis in the Field of Quantitative Structure Activity Relationships

Quantitative Structure-Activity Relationships ◽

10.1002/qsar.19910100109 ◽

1991 ◽

Vol 10 (1) ◽

pp. 52-53 ◽

Cited By ~ 1

Keyword(s):

Principal Component ◽

Component Analysis ◽

Quantitative Structure ◽

Quantitative Structure Activity Relationships

Structure Activity ◽

Structure–activity relationship (SAR) of substituted 17α-acetoxyprogesterones studied with principal component analysis and neural networks using calculated physicochemical parameters

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(99)00039-1 ◽

1999 ◽

Vol 489 (1) ◽

pp. 55-66 ◽

Cited By ~ 3

Author(s):

R Vendrame ◽

Y Takahata

Keyword(s):

Neural Networks ◽

Physicochemical Parameters ◽

Principal Component ◽

Component Analysis ◽

Structure Activity Relationship ◽

Activity Relationship ◽

Structure Activity

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 ◽

Component Analysis ◽

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Activity Relationship ◽

Quantitative Structure ◽

Structure Activity ◽

Regression Approach

Structure-Activity Study on Anticonvulsant (Thio) Hydantoins Using Molecular Connectivity Indices

Journal of Chemical Information and Modeling ◽

10.1021/ci00021a024 ◽

1994 ◽

Vol 34 (5) ◽

pp. 1162-1166 ◽

Cited By ~ 22

Author(s):

Poonam Dang ◽

A. K. Madan

Keyword(s):

Molecular Connectivity ◽

Molecular Connectivity Indices ◽

Structure Activity ◽

Connectivity Indices

Quantitative Structure−Activity Relationship Studies ofO,O-Bisaryl Alkyl Phosphonate Fungicides by Hansch Approach and Principal Component Analysis

Journal of Agricultural and Food Chemistry ◽

10.1021/jf9600364 ◽

1996 ◽

Vol 44 (12) ◽

pp. 3971-3976 ◽

Cited By ~ 11

Author(s):

Nripendra K. Roy ◽

Eugene S. J. Nidiry ◽

Kannan Vasu ◽

Sachchidananda Bedi ◽

Bhanooduth Lalljee ◽

...

Keyword(s):

Principal Component ◽

Component Analysis ◽

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Activity Relationship ◽

Quantitative Structure ◽

Structure Activity

Structure-Activity Study on Antiinflammatory Pyrazole Carboxylic Acid Hydrazide Analogs Using Molecular Connectivity Indices

Journal of Chemical Information and Modeling ◽

10.1021/ci00025a019 ◽

1995 ◽

Vol 35 (3) ◽

pp. 510-514 ◽

Cited By ~ 30

Author(s):

Anshu Goel ◽

A. K. Madan

Keyword(s):

Carboxylic Acid ◽

Acid Hydrazide ◽

Molecular Connectivity ◽

Molecular Connectivity Indices ◽

Structure Activity ◽

Carboxylic Acid Hydrazide ◽

Connectivity Indices