Results 181 to 190 of about 12,704 (208)

Fuzzy filtering for robust bioconcentration factor modelling

Environmental Modelling & Software, 2009
This study introduces a fuzzy filtering based technique for rendering robustness to the modelling methods. We consider a case study dealing with the development of a model for predicting the bioconcentration factor (BCF) of chemicals. The conventional neural/fuzzy BCF models, due to the involved uncertainties, may have a poor generalization performance
Shefali Kumar, Mohit Kumar, Kerstin Thurow, Regina Stoll, Udo Kragl   +4 more
openaire   +1 more source

Bioconcentration factors (BCF) of silver in wild Agaricus campestris

Bulletin of Environmental Contamination and Toxicology, 1995
Silver is an element naturally occurring in small concentrations in different environmental sites. However, many anthropogenic sources of silver led to contamination of this element in soil surfaces, pastures, and coastal marine areas in different parts of the world.
J, Falandysz, D, Danisiewicz
openaire   +2 more sources

Improved prediction of fish bioconcentration factor of Hydrophobic Chemicals

SAR and QSAR in Environmental Research, 2004
Using a large heterogeneous data-set of 640 organic chemicals, we have developed predictive Quantitative Structure-Activity Relationship models for fish bioconcentration factor (BCF). For 539 chemicals with a log Kow (octanol-water partition coefficient) range of -2.3 to 6.0, we developed a model with r2 = 0.664 and a standard error of 0.661; the ...
J C, Dearden, N M, Shinnawei
openaire   +2 more sources

QSAR Modeling of Bioconcentration Factor by theoretical molecular descriptors

QSAR & Combinatorial Science, 2003
AbstractBioconcentration factor (BCF) is an important ecotoxicological parameter describing the tendency of chemical concentration in organisms, mainly aquatic. Log BCF of 238 non‐ionic organic compounds was modelled by multiple linear regression models, using theoretical structural descriptors of different kinds (1D‐, 2D‐ and 3D‐) selected by the ...
GRAMATICA, PAOLA, PAPA, ESTER
openaire   +1 more source

Investigation on the relationship between bioconcentration factor and distribution coefficient based on class-based compounds: The factors that affect bioconcentration

Environmental Toxicology and Pharmacology, 2014
Bioconcentration factor (BCF) is one of the most important parameters in the assessment of the potential hazard of new compounds in aquatic ecosystems. However, the factors that influence the estimation of BCFs for a large variety of chemicals have not been systemically investigated in the literature. In this paper, a large BCF data set containing 1088
Yu Wang, Yang Wen, Jin J. Li, Jia He, Wei C. Qin, Li M. Su, Yuan H. Zhao   +6 more
openaire   +2 more sources

QSPR modeling bioconcentration factor (BCF) by balance of correlations

European Journal of Medicinal Chemistry, 2009
In many cases, quantitative structure-property/activity relationships (QSPRs/QSARs) are built according to the following scheme: (1) a split of the chemicals into a training and test sets; (2) selection of a model satisfactory for the training set; (3) validation of the model with the test set.
A A, Toropov, A P, Toropova, E, Benfenati   +2 more
openaire   +2 more sources

Bioconcentration Factors for Volatile Organic Compounds in Vegetation

Analytical Chemistry, 1998
Samples of air and leaves were taken at the University of Nevada [Formula: see text] Las Vegas campus and analyzed for volatile organic compounds using vacuum distillation coupled with gas chromatography/mass spectrometry. The data were used to estimate the bioconcentration of volatile organic compounds (VOCs) and to characterize the equilibration of ...
openaire   +2 more sources

Prediction of bioconcentration factors under non-equilibrium conditions

Chemosphere, 1985
Abstract With the bioconcentration of lipophilic compounds by aquatic organisms when equilibrium between water and biota is attained, the logarithm of the bioconcentration factor has a direct linear relationship with the logarithm of the octanol/water partition coefficient.
Darryl W. Hawker, Des W. Connell
openaire   +1 more source

Predicting the bioconcentration factor through a conformation-independent QSPR study

SAR and QSAR in Environmental Research, 2017
The ANTARES dataset is a large collection of known and verified experimental bioconcentration factor data, involving 851 highly heterogeneous compounds from which 159 are pesticides. The BCF ANTARES data were used to derive a conformation-independent QSPR model.
Aranda, José Francisco, Bacelo, Daniel Enrique, Leguizamón Aparicio, María Silvia del Valle, Ocsachoque, Marco Antonio, Castro, Eduardo Alberto, Duchowicz, Pablo Román   +5 more
openaire   +3 more sources

Methods for estimating the bioconcentration factor of ionizable organic chemicals

Environmental Toxicology and Chemistry, 2009
Abstract The bioaccumulation potential is an important criterion in risk assessment of chemicals. Several regressions between bioconcentration factor (BCF) in fish and octanol-water partition coefficient (KOW) have been developed for neutral organic compounds, but very few approaches address the BCF of ionizable compounds.
Wenjing, Fu, Antonio, Franco, Stefan, Trapp   +2 more
openaire   +2 more sources