Quantitative structure-retention relationship for polychlorinated dibenzofurans based on molecular interaction field analysis

Science Bulletin ◽

10.1007/s11434-009-0552-1 ◽

2009 ◽

Vol 54 (24) ◽

pp. 4644-4650

Author(s):

JinSong Zhao ◽

ShuXia Yu

Keyword(s):

Molecular Interaction ◽

Field Analysis ◽

Polychlorinated Dibenzofurans ◽

Quantitative Structure ◽

Interaction Field ◽

Molecular Interaction Field ◽

Structure Retention ◽

Quantitative Structure Retention Relationship

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Hologram quantitative structure–activity relationship and comparative molecular interaction field analysis of aminothiazole and thiazolesulfonamide as reversible LSD1 inhibitors

Future Medicinal Chemistry ◽

10.4155/fmc.15.68 ◽

2015 ◽

Vol 7 (11) ◽

pp. 1381-1394 ◽

Author(s):

Vinícius G Maltarollo ◽

Káthia M Honório ◽

Flavio S Emery ◽

Arasu Ganesan ◽

Gustavo HG Trossini

Keyword(s):

Molecular Interaction ◽

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Field Analysis ◽

Activity Relationship ◽

Quantitative Structure ◽

Interaction Field ◽

Structure Activity ◽

Molecular Interaction Field

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Three-dimensional holographic vector of atomic interaction field for quantitative structure-retention relationship of purine bases

Chinese Science Bulletin ◽

10.1007/s11434-006-1557-7 ◽

2006 ◽

Vol 51 (13) ◽

pp. 1557-1562 ◽

Author(s):

Jianbo Tong ◽

Peng Zhou ◽

Shengwan Zhang ◽

Yuan Zhou ◽

Hu Mei ◽

...

Keyword(s):

Three Dimensional ◽

Atomic Interaction ◽

Quantitative Structure ◽

Purine Bases ◽

Interaction Field ◽

Structure Retention ◽

Relationship Of ◽

Quantitative Structure Retention Relationship

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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 ◽

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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Theoretical Prediction of the Enantiomeric Excess in Asymmetric Catalysis. An Alignment-Independent Molecular Interaction Field Based Approach

The Journal of Organic Chemistry ◽

10.1021/jo051496b ◽

2005 ◽

Vol 70 (22) ◽

pp. 9025-9027 ◽

Author(s):

Simone Sciabola ◽

Alexander Alex ◽

Paul D. Higginson ◽

John C. Mitchell ◽

Martin J. Snowden ◽

...

Keyword(s):

Theoretical Prediction ◽

Asymmetric Catalysis ◽

Molecular Interaction ◽

Enantiomeric Excess ◽

Interaction Field ◽

Molecular Interaction Field

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A strategy to improve the identification reliability of the chemical constituents by high-resolution mass spectrometry-based isomer structure prediction combined with a quantitative structure retention relationship analysis: Phthalide compounds in Chuanxiong as a test case

Journal of Chromatography A ◽

10.1016/j.chroma.2018.03.055 ◽

2018 ◽

Vol 1552 ◽

pp. 17-28 ◽

Author(s):

Qingqing Zhang ◽

Mengqi Huo ◽

Yanling Zhang ◽

Yanjiang Qiao ◽

Xiaoyan Gao

Keyword(s):

Mass Spectrometry ◽

Structure Prediction ◽

High Resolution Mass Spectrometry ◽

Chemical Constituents ◽

Test Case ◽

Quantitative Structure ◽

Relationship Analysis ◽

Structure Retention ◽

Quantitative Structure Retention Relationship ◽

Resolution Mass

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Estimation of passive gastrointestinal absorption and membrane retention using PAMPA test, quantitative structure-permeability and quantitative structure-retention relationship analyses of ethylenediamine-N,N'-di-2-(3-cyclohexyl)propanoic acid and 1,3-propanediamine-N,N'-di-2-(3-cyclohexyl)propanoic acid derivatives

Journal of Pharmaceutical and Biomedical Analysis ◽

10.1016/j.jpba.2020.113213 ◽

2020 ◽

Vol 184 ◽

pp. 113213

Author(s):

Biljana Tubić ◽

Vladimir Dobričić ◽

Jelena Poljarević ◽

Aleksandar Savić ◽

Tibor Sabo ◽

...

Keyword(s):

Gastrointestinal Absorption ◽

Propanoic Acid ◽

Quantitative Structure ◽

Structure Retention ◽

Quantitative Structure Retention Relationship

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Suspect screening of environmental contaminants by UHPLC-HRMS and transposable Quantitative Structure-Retention Relationship modelling

Journal of Hazardous Materials ◽

10.1016/j.jhazmat.2020.124652 ◽

2020 ◽

pp. 124652

Author(s):

Eloi Bride ◽

Sabine Heinisch ◽

Bénilde Bonnefille ◽

Céline Guillemain ◽

Christelle Margoum

Keyword(s):

Environmental Contaminants ◽

Quantitative Structure ◽

Suspect Screening ◽

Structure Retention ◽

Quantitative Structure Retention Relationship

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Quantitative structure–retention relationship for the Kovats retention indices of a large set of terpenes: A combined data splitting-feature selection strategy

Analytica Chimica Acta ◽

10.1016/j.aca.2007.04.009 ◽

2007 ◽

Vol 592 (1) ◽

pp. 72-81 ◽

Author(s):

Bahram Hemmateenejad ◽

Katayoun Javadnia ◽

Maryam Elyasi

Keyword(s):

Feature Selection ◽

Retention Indices ◽

Selection Strategy ◽

Large Set ◽

Quantitative Structure ◽

Data Splitting ◽

Kováts Retention Indices ◽

Structure Retention ◽

Quantitative Structure Retention Relationship ◽

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Quantitative structure-retention relationship studies of sulfur vesicants

Analytical Chemistry ◽

10.1021/ac00047a031 ◽

1992 ◽

Vol 64 (23) ◽

pp. 3059-3063 ◽

Author(s):

Thomas F. Woloszyn ◽

Peter C. Jurs

Keyword(s):

Quantitative Structure ◽

Structure Retention ◽

Quantitative Structure Retention Relationship

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The Chemometric Study and Quantitative Structure Retention Relationship Modeling of Liquid Chromatography Separation of Ziprasidone Components

Combinatorial Chemistry & High Throughput Screening ◽

10.2174/138620712803519699 ◽

2012 ◽

Vol 15 (9) ◽

pp. 730-744 ◽

Author(s):

Katarina Nikolic ◽

Marija Pavlovic ◽

Adam Smolinski ◽

Danica Agbaba

Keyword(s):

Liquid Chromatography ◽

Quantitative Structure ◽

Liquid Chromatography Separation ◽

Structure Retention ◽

Quantitative Structure Retention Relationship

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