Quantitative Structure-Retention Relationship (QSRR) study of oxygen-containing organic compounds based on Gene Expression Programming (GEP)

2016 12th International Conference on Natural Computation, Fuzzy Systems and Knowledge Discovery (ICNC-FSKD) ◽

10.1109/fskd.2016.7603163 ◽

2016 ◽

Author(s):

Xiaotong Zhang ◽

Ting Sun ◽

Lihua Shi ◽

Ling Ding ◽

Zhaolin Sun ◽

...

Keyword(s):

Gene Expression ◽

Organic Compounds ◽

Gene Expression Programming ◽

Quantitative Structure ◽

Structure Retention ◽

Quantitative Structure Retention Relationship

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Study on Quantitative Structure-Retention Relationships (QSRR) for Oxygen-Containing Organic Compounds Based on Gene Expression Programming (GEP)

Journal of Chromatography & Separation Techniques ◽

10.4172/2157-7064.1000306 ◽

2015 ◽

Vol 06 (07) ◽

Author(s):

Zhang X ◽

Shi L

Keyword(s):

Gene Expression ◽

Organic Compounds ◽

Gene Expression Programming ◽

Quantitative Structure ◽

Structure Retention ◽

Quantitative Structure Retention Relationships

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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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Quantitative structure-activity relationships studies of CCR5 inhibitors and toxicity of aromatic compounds using gene expression programming

European Journal of Medicinal Chemistry ◽

10.1016/j.ejmech.2009.09.022 ◽

2010 ◽

Vol 45 (1) ◽

pp. 49-54 ◽

Author(s):

Weimin Shi ◽

Xiaoya Zhang ◽

Qi Shen

Keyword(s):

Gene Expression ◽

Aromatic Compounds ◽

Gene Expression Programming ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

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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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Gene expression programming strategy for estimation of flash point temperature of non-electrolyte organic compounds

Fluid Phase Equilibria ◽

10.1016/j.fluid.2012.05.015 ◽

2012 ◽

Vol 329 ◽

pp. 71-77 ◽

Author(s):

Farhad Gharagheizi ◽

Poorandokht Ilani-Kashkouli ◽

Nasrin Farahani ◽

Amir H. Mohammadi

Keyword(s):

Gene Expression ◽

Organic Compounds ◽

Gene Expression Programming ◽

Flash Point ◽

Point Temperature

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