Quantitative Structure-Activity Relationships Based on Functional and Structural Characteristics of Organic Compounds

SAR and QSAR in Environmental Research ◽

10.1080/10629360108039835 ◽

2001 ◽

Vol 12 (6) ◽

pp. 565-591 ◽

Author(s):

S. A. Kulkarni ◽

D. V. Raje ◽

T. Chakrabarti

Keyword(s):

Organic Compounds ◽

Structural Characteristics ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

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Quantitative structure activity relationships (QSARs) and machine learning models for abiotic reduction of organic compounds by an aqueous Fe(II) complex

Water Research ◽

10.1016/j.watres.2021.116843 ◽

2021 ◽

Vol 192 ◽

pp. 116843

Author(s):

Yidan Gao ◽

Shifa Zhong ◽

Tifany L. Torralba-Sanchez ◽

Paul G. Tratnyek ◽

Eric J. Weber ◽

...

Keyword(s):

Machine Learning ◽

Organic Compounds ◽

Quantitative Structure ◽

Learning Models ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships ◽

Abiotic Reduction ◽

Machine Learning Models

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Quantitative Structure-Activity Relationships (QSARs) for Odor Thresholds of Volatile Organic Compounds (VOCs)

10.1111/j.1600-0668.1998.t01-3-00004.x ◽

1998 ◽

Vol 8 (1) ◽

pp. 23-33 ◽

Author(s):

K. M. Hau ◽

D. W. Connell

Keyword(s):

Volatile Organic Compounds ◽

Organic Compounds ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Volatile Organic ◽

Odor Thresholds ◽

Quantitative Structure Activity Relationships

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Predicting formation of haloacetic acids by chlorination of organic compounds using machine-learning-assisted quantitative structure-activity relationships

Journal of Hazardous Materials ◽

10.1016/j.jhazmat.2020.124466 ◽

2020 ◽

pp. 124466

Author(s):

José Andrés Cordero ◽

Kai He ◽

Kanjira Janya ◽

Shinya Echigo ◽

Sadahiko Itoh

Keyword(s):

Machine Learning ◽

Organic Compounds ◽

Haloacetic Acids ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

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Application of Micellar Liquid Chromatography to Modeling of Organic Compounds by Quantitative Structure—Activity Relationships

ACS Symposium Series - Probing Bioactive Mechanisms ◽

10.1021/bk-1989-0413.ch008 ◽

1989 ◽

pp. 123-131 ◽

Author(s):

Barry K. Lavine ◽

Anthony J. I. Ward ◽

Jian Hwa Han ◽

Orla Donoghue

Keyword(s):

Liquid Chromatography ◽

Organic Compounds ◽

Micellar Liquid Chromatography ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

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Progress and perspectives of quantitative structure-activity relationships used for ecological risk assessment of toxic organic compounds

Science in China Series B Chemistry ◽

10.1007/s11426-008-0076-6 ◽

2008 ◽

Vol 51 (7) ◽

Author(s):

JingWen Chen ◽

Xuehua Li ◽

Haiying Yu ◽

YaNan Wang ◽

XianLiang Qiao

Keyword(s):

Risk Assessment ◽

Organic Compounds ◽

Ecological Risk ◽

Ecological Risk Assessment ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships ◽

Toxic Organic Compounds

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Calculation of Solubility of Organic Compounds in Supercritical CO2 based on Quantitative Structure-Activity Relationships

Netsu Bussei ◽

10.2963/jjtp.21.137 ◽

2007 ◽

Vol 21 (3) ◽

pp. 137-142 ◽

Author(s):

Daisuke Tomida ◽

Tsumugi Konishi ◽

Takeo Ebina ◽

Chiaki Yokoyama

Keyword(s):

Organic Compounds ◽

Supercritical Co2 ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

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Quantitative structure-activity relationships for evaluating the influence of sorbate structure on sorption of organic compounds by soil

Environmental Toxicology and Chemistry ◽

10.1002/etc.5620140703 ◽

1995 ◽

Vol 14 (7) ◽

pp. 1133-1140 ◽

Author(s):

Qinhong Hu ◽

Xiaojiang Wang ◽

Mark L. Brusseau

Keyword(s):

Organic Compounds ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

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Calculation of Solubility of Organic Compounds in Supercritical CO2 Based on Quantitative Structure-Activity Relationships-Development of Correlation Equation Using Experimental Variable-

Netsu Bussei ◽

10.2963/jjtp.23.27 ◽

2009 ◽

Vol 23 (1) ◽

pp. 27-31 ◽

Author(s):

Daisuke Tomida ◽

Tsumugi Konishi ◽

Takeo Ebina ◽

Tomomichi Nishino ◽

Chiaki Yokoyama

Keyword(s):

Organic Compounds ◽

Supercritical Co2 ◽

Correlation Equation ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

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Quantitative structure-activity relationships for nasal pungency thresholds of volatile organic compounds

Toxicological Sciences ◽

10.1093/toxsci/47.1.93 ◽

1999 ◽

Vol 47 (1) ◽

pp. 93-98 ◽

Author(s):

K. M. Hau ◽

D. W. Connell ◽

B. J. Richardson

Keyword(s):

Volatile Organic Compounds ◽

Organic Compounds ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Volatile Organic ◽

Quantitative Structure Activity Relationships

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Quantitative Structure-Activity Relationships of Potential Antimalarial Drugs Active Against Chloroquine-Resistant Plasmodium Falciparum

Planta Medica ◽

10.1055/s-2008-1075144 ◽

2008 ◽

Vol 74 (03) ◽

Author(s):

SJ Hocart ◽

H Liu ◽

D De ◽

FM Krogstad ◽

DJ Krogstad

Keyword(s):

Plasmodium Falciparum ◽

Antimalarial Drugs ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

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