QSAR models for predicting acute toxicity of pesticides in rainbow trout using the CORAL software and EFSA’s OpenFoodTox database

2017 ◽  
Vol 53 ◽  
pp. 158-163 ◽  
Author(s):  
Andrey A. Toropov ◽  
Alla P. Toropova ◽  
Marco Marzo ◽  
Jean Lou Dorne ◽  
Nikolaos Georgiadis ◽  
...  
Keyword(s):  
Rainbow Trout ◽  
Acute Toxicity ◽  
Coral Software ◽  
Qsar Models

Prediction of Oral Acute Toxicity of Organophosphates Using QSAR Methods

2019 ◽  
Vol 16 ◽  
Author(s):  
Mina Kianpour ◽  
Esmat Mohammadinasab ◽  
Tahereh Momeni Esfahani
Keyword(s):  
Acute Toxicity ◽  
Molecular Descriptors ◽  
Back Propagation ◽  
Quantitative Structure Activity Relationship ◽  
Average Deviation ◽  
Qsar Models ◽  
Ann Models ◽  
Similar Class ◽  
New Compounds ◽  
Oral Acute Toxicity

: The aim of the present study was to develop quantitative structure-activity relationship (QSAR) models, based on molecular descriptors to predict the oral acute toxicity (LD50) of organophosphate compounds. The QSAR models based on genetic algorithm-multiple linear regression (GA-MLR) and back-propagation artificial neural network (BP-ANN) methods were proposed. The prediction experiment showed that the BP-ANN method was a reliable model for screening molecular descriptors, and molecular descriptors obtained by BP-ANN models could well characterize the molecular structure of each compound. It was indicated that among molecular descriptors to predict the LD50 (mgkg-1) of organophosphates, ALOGP2, RDF030u, RDF065p and GATS5m descriptors have more importance than the other descriptors. Also BP-ANN approach with the values of root mean square error (RMSE= 0.00168), square correlation coefficient (R2= 0.9999) and absolute average deviation (AAD=0.6981631) gave the best outcome, and the model predictions were in good agreement with experimental data. The proposed model may be useful for predicting LD50 (mgkg-1) of new compounds of similar class.

Acute toxicity of Roundup® and Rodeo® herbicides to rainbow trout, chinook, and coho salmon

1987 ◽  
Vol 39 (6) ◽  
pp. 1028-1035 ◽  
Author(s):  
David G. Mitchell ◽  
Peter M. Chapman ◽  
Timothy J. Long
Keyword(s):  
Rainbow Trout ◽  
Acute Toxicity ◽  
Coho Salmon

Assessment of the Acute Toxicity, Growth Impairment, and Flesh Tainting Potential of a Bleached Kraft Mill Effluent on Rainbow Trout (Salmo gairdneri)

1977 ◽  
Vol 34 (6) ◽  
pp. 869-878 ◽  
Author(s):  
D. M. Whittle ◽  
K. W. Flood
Keyword(s):  
Rainbow Trout ◽  
Acute Toxicity ◽  
Continuous Flow ◽  
Effluent Treatment ◽  
Salmo Gairdneri ◽  
Freshwater Ecosystem ◽  
Juvenile Rainbow Trout ◽  
Effluent Concentration ◽  
Kraft Mill Effluent ◽  
Kraft Mill

Static and continuous-flow bioassays utilizing juvenile rainbow trout (Salmo gairdneri) were conducted on a northern Ontario bleached kraft mill effluent to assess the range of acute toxicity and related sublethal effects. The acute toxicity of the total mill effluent, as determined by static bioassay procedures, ranged from a 96-h LC50 value of 14–49.0% vol/vol. The results of these bioassays depended on testing methodology and effluent treatment systems employed by the mill when samples were collected. Continuous-flow bioassays conducted on the effluent Produced 96-h LC50 values of 21.8 and 24.8% vol/vol. Growth rate of juvenile rainbow trout (1–2 g) held under continuous-flow conditions for 18 days was significantly reduced at 6% vol/vol effluent concentration (P < 0.05). Flavor of yearling rainbow trout [Formula: see text] exposed to 3% effluent for 48 h was significantly impaired (P < 0.05). This effluent concentration, the lowest level impairing flavor represents approximately 0.12 of the 96-h LC50 derived from continuous-flow bioassays. No significant flavor impairment was detected in fish exposed for 144 h to a 2% effluent concentration Flavor impairment at a 3% vol/vol effluent concentration, the most sensitive sublethal response measured in this study, may also be the most critical response when assessing the economic impact of a kraft mill discharge to a freshwater ecosystem.

Consensus QSAR models estimating acute toxicity to aquatic organisms from different trophic levels: algae, Daphnia and fish

2020 ◽  
Vol 31 (9) ◽  
pp. 655-675
Author(s):  
F. Lunghini ◽  
G. Marcou ◽  
P. Azam ◽  
M.H. Enrici ◽  
E. Van Miert ◽  
...  
Keyword(s):  
Acute Toxicity ◽  
Aquatic Organisms ◽  
Trophic Levels ◽  
Qsar Models
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