Quantitative Structure-Activity Relationships (QSARs) of N-Terminus Fragments of NK1 Tachykinin Antagonists: A Comparison of Classical QSARs and Three-Dimensional QSARs from Similarity Matrixes

David C. Horwell; William Howson; Michael Higginbottom; Dorica Naylor; Giles S. Ratcliffe; Sophie Williams

doi:10.1021/jm00022a010

Quantitative Structure-Activity Relationships (QSARs) of N-Terminus Fragments of NK1 Tachykinin Antagonists: A Comparison of Classical QSARs and Three-Dimensional QSARs from Similarity Matrixes

Journal of Medicinal Chemistry ◽

10.1021/jm00022a010 ◽

1995 ◽

Vol 38 (22) ◽

pp. 4454-4462 ◽

Cited By ~ 15

Author(s):

David C. Horwell ◽

William Howson ◽

Michael Higginbottom ◽

Dorica Naylor ◽

Giles S. Ratcliffe ◽

...

Keyword(s):

Three Dimensional ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

N Terminus ◽

Tachykinin Antagonists ◽

Quantitative Structure Activity Relationships

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Three-dimensional quantitative structure-activity relationships of pyrrolopyridinone as cell division cycle kinase inhibitors by CoMFA and CoMSIA

Journal of Molecular Modeling ◽

10.1007/s00894-011-1016-5 ◽

2011 ◽

Vol 17 (8) ◽

pp. 2113-2130 ◽

Cited By ~ 2

Author(s):

Junxia Zheng ◽

Gaokeng Xiao ◽

Jialiang Guo ◽

Longyi Rao ◽

Wei Chao ◽

...

Keyword(s):

Cell Division ◽

Kinase Inhibitors ◽

Three Dimensional ◽

Cell Division Cycle ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

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Prediction of Cross-Recognition of Peptide-HLA A2 by Melan-A-Specific Cytotoxic T Lymphocytes Using Three-Dimensional Quantitative Structure-Activity Relationships

PLoS ONE ◽

10.1371/journal.pone.0065590 ◽

2013 ◽

Vol 8 (7) ◽

pp. e65590 ◽

Cited By ~ 3

Author(s):

Theres Fagerberg ◽

Vincent Zoete ◽

Sebastien Viatte ◽

Petra Baumgaertner ◽

Pedro M. Alves ◽

...

Keyword(s):

T Lymphocytes ◽

Cytotoxic T Lymphocytes ◽

Three Dimensional ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

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Three-dimensional structural databases developed for quantitative structure—activity relationships studies

Chemometrics and Intelligent Laboratory Systems ◽

10.1016/0169-7439(90)80121-l ◽

1990 ◽

Vol 8 (2) ◽

pp. 93

Keyword(s):

Three Dimensional ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships ◽

Structural Databases

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Three-dimensional quantitative structure-activity relationships of 5-HT receptor binding data for tetrahydropyridinylindole derivatives: a comparison of the Hansch and CoMFA methods

Journal of Medicinal Chemistry ◽

10.1021/jm00077a003 ◽

1993 ◽

Vol 36 (25) ◽

pp. 4006-4014 ◽

Cited By ~ 49

Author(s):

Atul Agarwal ◽

Philip P. Pearson ◽

Ethan Will Taylor ◽

Hong B. Li ◽

Torsten Dahlgren ◽

...

Keyword(s):

Receptor Binding ◽

Three Dimensional ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Binding Data ◽

Quantitative Structure Activity Relationships

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Three-Dimensional Quantitative Structure−Activity Relationships from Molecular Similarity Matrices and Genetic Neural Networks. 1. Method and Validations

Journal of Medicinal Chemistry ◽

10.1021/jm970487v ◽

1997 ◽

Vol 40 (26) ◽

pp. 4347-4359 ◽

Cited By ~ 96

Author(s):

Sung-Sau So ◽

Martin Karplus

Keyword(s):

Neural Networks ◽

Molecular Similarity ◽

Three Dimensional ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships ◽

Similarity Matrices

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Three-Dimensional Quantitative Structure−Activity Relationships from Molecular Similarity Matrices and Genetic Neural Networks. 2. Applications

Journal of Medicinal Chemistry ◽

10.1021/jm970488n ◽

1997 ◽

Vol 40 (26) ◽

pp. 4360-4371 ◽

Cited By ~ 52

Author(s):

Sung-Sau So ◽

Martin Karplus

Keyword(s):

Neural Networks ◽

Molecular Similarity ◽

Three Dimensional ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships ◽

Similarity Matrices

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Computational identification of RNA functional determinants by three-dimensional quantitative structure–activity relationships

Nucleic Acids Research ◽

10.1093/nar/gku816 ◽

2014 ◽

Vol 42 (17) ◽

pp. 11261-11271 ◽

Cited By ~ 4

Author(s):

Marc-Frédérick Blanchet ◽

Karine St-Onge ◽

Véronique Lisi ◽

Julie Robitaille ◽

Sylvie Hamel ◽

...

Keyword(s):

Three Dimensional ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Computational Identification ◽

Quantitative Structure Activity Relationships

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ChemInform Abstract: Atomic Physicochemical Parameters for Three Dimensional Structure Directed Quantitative Structure-Activity Relationships. Part 4. Additional Parameters for Hydrophobic and Dispersive Interactions and Their Application for an Automated

ChemInform ◽

10.1002/chin.198950038 ◽

1989 ◽

Vol 20 (50) ◽

Author(s):

V. N. VISWANADHAN ◽

A. K. GHOSE ◽

G. R. REVANKAR ◽

R. K. ROBINS

Keyword(s):

Physicochemical Parameters ◽

Three Dimensional ◽

Dimensional Structure ◽

Quantitative Structure ◽

Three Dimensional Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

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Understanding the Molecular Determinant of Reversible Human Monoamine Oxidase B Inhibitors Containing 2H-Chromen-2-One Core: Structure-Based and Ligand-Based Derived Three-Dimensional Quantitative Structure–Activity Relationships Predictive Models

Journal of Chemical Information and Modeling ◽

10.1021/acs.jcim.6b00608 ◽

2017 ◽

Vol 57 (4) ◽

pp. 787-814 ◽

Cited By ~ 13

Author(s):

Milan Mladenović ◽

Alexandros Patsilinakos ◽

Adele Pirolli ◽

Manuela Sabatino ◽

Rino Ragno

Keyword(s):

Monoamine Oxidase ◽

Predictive Models ◽

Three Dimensional ◽

Core Structure ◽

Monoamine Oxidase B ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Molecular Determinant ◽

Quantitative Structure Activity Relationships

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Molecular Docking and Three‐Dimensional Quantitative Structure–Activity Relationships for Antitubercular Pyrimidine Derivatives

Polycyclic Aromatic Compounds ◽

10.1080/10406638.2021.1885455 ◽

2021 ◽

pp. 1-14

Author(s):

Praveen M. Parkali ◽

A. Shyam Kumar ◽

Pohamba Johanna K ◽

Shilomboleni Prodensia T ◽

Sruthi Turaga ◽

...

Keyword(s):

Molecular Docking ◽

Three Dimensional ◽

Quantitative Structure ◽

Pyrimidine Derivatives ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

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