Ecotoxicological QSAR modeling of the acute toxicity of organic compounds to the freshwater crustacean Thamnocephalus platyurus

Chemosphere ◽  
2021 ◽  
pp. 130652
Author(s):  
Giovanna J. Lavado ◽  
Diego Baderna ◽  
Domenico Gadaleta ◽  
Marta Ultre ◽  
Kunal Roy ◽  
...  
Keyword(s):  
Acute Toxicity ◽  
Organic Compounds ◽  
Qsar Modeling ◽  
Thamnocephalus Platyurus ◽  
Freshwater Crustacean

scholarly journals Acute toxicity of pharmaceutical and personal care products on freshwater crustacean (Thamnocephalus platyurus) and fish (Oryzias latipes)

2009 ◽  
Vol 34 (2) ◽  
pp. 227-232 ◽  
Author(s):  
Joon-Woo Kim ◽  
Hiroshi Ishibashi ◽  
Ryoko Yamauchi ◽  
Nobuhiro Ichikawa ◽  
Yuji Takao ◽  
...  
Keyword(s):  
Acute Toxicity ◽  
Personal Care Products ◽  
Oryzias Latipes ◽  
Personal Care ◽  
Thamnocephalus Platyurus ◽  
Freshwater Crustacean

QSAR modeling for reaction rate constants of eaq− with diverse organic compounds in water

2020 ◽  
Vol 6 (7) ◽  
pp. 1931-1938
Author(s):  
Shanshan Zheng ◽  
Chao Li ◽  
Gaoliang Wei
Keyword(s):  
Organic Compounds ◽  
Reaction Rate ◽  
Quantitative Structure Activity Relationship ◽  
Structural Features ◽  
Quantitative Structure ◽  
Qsar Modeling ◽  
Reaction Rate Constants ◽  
Structure Activity ◽  
Qsar Models ◽  
The Impact

Two quantitative structure–activity relationship (QSAR) models to predict keaq− of diverse organic compounds were developed and the impact of molecular structural features on eaq− reactivity was investigated.

QSAR modeling of acute toxicity by balance of correlations

2008 ◽  
Vol 16 (11) ◽  
pp. 5999-6008 ◽  
Author(s):  
Andrey A. Toropov ◽  
Bakhtiyor F. Rasulev ◽  
Jerzy Leszczynski
Keyword(s):  
Acute Toxicity ◽  
Qsar Modeling ◽  
Balance Of Correlations

Prediction of Fathead Minnow Acute Toxicity of Organic Compounds from Molecular Structure

1999 ◽  
Vol 12 (7) ◽  
pp. 670-678 ◽  
Author(s):  
Donald V. Eldred ◽  
Cara L. Weikel ◽  
Peter C. Jurs ◽  
Klaus L. E. Kaiser
Keyword(s):  
Molecular Structure ◽  
Acute Toxicity ◽  
Organic Compounds ◽  
Fathead Minnow

Field Evaluation of High Voltage Electron Beam Technology for Treating VOC-Contaminated Groundwater. Part II: Acute Toxicity Changes and By-Product Formation

1998 ◽  
Vol 3 (1) ◽  
Author(s):  
Kirankumar Topudurti ◽  
Michael Keefe ◽  
Chriso Petropoulou ◽  
Tim Schlichting ◽  
Franklin Alvarez
Keyword(s):  
South Carolina ◽  
Electron Beam ◽  
Acute Toxicity ◽  
Organic Compounds ◽  
High Voltage ◽  
High Energy ◽  
Department Of Energy ◽  
Innovative Technology ◽  
Beam System ◽  
The U.S

AbstractAs part of the Superfund Innovative Technology Evaluation program, the U.S. Environmental Protection Agency evaluated the High Voltage jEnvironmental Applications, Inc. (HVEA), electron beam (E-beam) technology at the U.S. Department of Energy Savannah River Site (SRS) in Aiken, South Carolina. This technology irradiates water with a beam of high-energy electrons, causing the formation of three primary transient reactive species: aqueous electrons, hydroxyl radicals, and hydrogen radicals. Target organic compounds are either mineralized or broken down into low molecular weight organic compounds, primarily by these species. The E-beam system used for the evaluation is housed in an 8- by 48-foot trailer and is rated for a maximum flow rate of 50 gpm. During two different periods totaling 3 weeks in September and November 1994, about 70,000 gallons of SRS M-area groundwater contaminated with volatile organic compounds (VOCs) was treated with the E-beam system. E-beam treatment increased groundwater acute toxicity for fathead minnows but not for water fleas. Although several VOCs were removed, lack of decrease in toxicity appears to be due to formation of toxic by-products, including haloacetic acids and aldehydes, during E-beam treatment of groundwater. An increase in inorganic carbon and chloride concentrations was observed, in the treated groundwater indicating that some VOCs were mineralized during E-beam treatment. Formation of CO

QSAR Modeling of Acute Toxicity for Nitrobenzene Derivatives Towards Rats: Comparative Analysis by MLRA and Optimal Descriptors

2007 ◽  
Vol 26 (5) ◽  
pp. 686-693 ◽  
Author(s):  
Andrey A. Toropov ◽  
Bakhtiyor F. Rasulev ◽  
Jerzy Leszczynski
Keyword(s):  
Comparative Analysis ◽  
Acute Toxicity ◽  
Qsar Modeling

scholarly journals Acute toxicity of benzotriazole ultraviolet stabilizers on freshwater crustacean (Daphnia pulex)

2011 ◽  
Vol 36 (2) ◽  
pp. 247-251 ◽  
Author(s):  
Joon-Woo Kim ◽  
Kwang-Hyeon Chang ◽  
Tomohiko Isobe ◽  
Shinsuke Tanabe
Keyword(s):  
Acute Toxicity ◽  
Daphnia Pulex ◽  
Freshwater Crustacean

scholarly journals QSAR Modeling Of Mammal Acute Toxicity By Oral Exposure

2018 ◽  
Vol 1 (3) ◽  
pp. e00066 ◽  
Author(s):  
O.A. Raevsky ◽  
V.Yu. Grigorev ◽  
A.V. Yarkov ◽  
O.V. Tinkov
Keyword(s):  
Standard Deviation ◽  
Acute Toxicity ◽  
Regression Models ◽  
Arithmetic Mean ◽  
Statistical Characteristics ◽  
Oral Exposure ◽  
Acute Oral Toxicity ◽  
Oral Toxicity ◽  
Qsar Modeling ◽  
Test Sets

7490 organic compounds exhibiting acute oral toxicity in mice were studied. Regression models with satisfactory statistical characteristics have been created using the original AMP (arithmetic mean property) approach. The best models using the training and test sets were characterized by the squared linear correlation coefficient and the standard deviation of 0.5 and 0.45 (in log(1/LD50) units).

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