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

Structure Activity ◽

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 ◽

Quantitative Structure Activity Relationships ◽

Abiotic Reduction ◽

Machine Learning Models

Quantitative structure-activity relationships for the developmental toxicity of haloacetic acids in mammalian whole embryo culture

Teratology ◽

10.1002/(sici)1096-9926(199606)53:6<352::aid-tera6>3.0.co;2-1 ◽

1996 ◽

Vol 53 (6) ◽

pp. 352-360 ◽

Cited By ~ 46

Author(s):

Ann M. Richard ◽

E. Sidney Hunter

Keyword(s):

Embryo Culture ◽

Developmental Toxicity ◽

Haloacetic Acids ◽

Quantitative Structure ◽

Whole Embryo Culture ◽

Structure Activity ◽

Machine Learning Quantitative Structure-Activity Relationships (QSAR) for Peptides Binding to the Human Amphiphysin-1 SH3 Domain

Current Proteomics ◽

10.2174/157016409789973725 ◽

2009 ◽

Vol 6 (4) ◽

pp. 289-302 ◽

Cited By ~ 11

Author(s):

Ovidiu Ivanciuc

Keyword(s):

Machine Learning ◽

Sh3 Domain ◽

Quantitative Structure ◽

Structure Activity ◽

Amphiphysin 1 ◽

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

Indoor Air ◽

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

1998 ◽

Vol 8 (1) ◽

pp. 23-33 ◽

Cited By ~ 21

Author(s):

K. M. Hau ◽

D. W. Connell

Keyword(s):

Volatile Organic Compounds ◽

Organic Compounds ◽

Quantitative Structure ◽

Structure Activity ◽

Volatile Organic ◽

Odor Thresholds ◽

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 ◽

Cited By ~ 13

Author(s):

S. A. Kulkarni ◽

D. V. Raje ◽

T. Chakrabarti

Keyword(s):

Organic Compounds ◽

Structural Characteristics ◽

Quantitative Structure ◽

Structure Activity ◽

2019 International Conference on Intelligent Systems and Advanced Computing Sciences (ISACS) ◽

Machine learning algorithms used in Quantitative structure-activity relationships studies as new approaches in drug discovery

10.1109/isacs48493.2019.9068917 ◽

2019 ◽

Author(s):

Mourad Stitou ◽

Hamid Toufik ◽

Mohammed Bouachrine ◽

Hssain Bih ◽

Fatima Lamchouri

Keyword(s):

Machine Learning ◽

Drug Discovery ◽

Learning Algorithms ◽

Machine Learning Algorithms ◽

Quantitative Structure ◽

New Approaches ◽

Structure Activity ◽

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 ◽

Cited By ~ 1

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 ◽

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) ◽

Cited By ~ 22

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 ◽

Quantitative Structure Activity Relationships ◽

Toxic Organic Compounds

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 ◽

Cited By ~ 1

Author(s):

Daisuke Tomida ◽

Tsumugi Konishi ◽

Takeo Ebina ◽

Chiaki Yokoyama

Keyword(s):

Organic Compounds ◽

Supercritical Co2 ◽

Quantitative Structure ◽

Structure Activity ◽

Exploration of the Quantitative Structure-Activity Relationships for Predicting Cyclooxygenase-2 Inhibition Bioactivity by Machine Learning Approaches

Results in Chemistry ◽

10.1016/j.rechem.2021.100272 ◽

2021 ◽

pp. 100272

Author(s):

Kevin Tochukwu Dibia ◽

Philomena Kanwulia Igbokwe ◽

Ifechukwu Godfrey Ezemagu ◽

Christian Oluchukwu Asadu

Keyword(s):

Machine Learning ◽

Cyclooxygenase 2 ◽

Learning Approaches ◽

Quantitative Structure ◽

Structure Activity ◽