相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。QSPR model for bioconcentration factors of nonpolar organic compounds using molecular electronegativity distance vector descriptors
Li-Tang Qin et al.
MOLECULAR DIVERSITY (2010)
The usefulness of an artificial membrane accumulation index for estimation of the bioconcentration factor of organophosphorus pesticides
Masaaki Fujikawa et al.
CHEMOSPHERE (2009)
Development and assessment of quantitative structure-activity relationship models for bioconcentration factors of organic pollutants
Qin Hong et al.
CHINESE SCIENCE BULLETIN (2009)
Use of Quantitative Structural Analysis To Predict Fish Bloconcentration Factors for Pesticides
Scott H. Jackson et al.
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY (2009)
Docking and Virtual Screening Using Distributed Grid Technology
Alfonso T. Garcia-Sosa et al.
QSAR & COMBINATORIAL SCIENCE (2009)
A new predictive model for the bioconcentration factors of polychlorinated biphenyls (PCBs) based on the molecular electronegativity distance vector (MEDV)
Li-Tang Qin et al.
CHEMOSPHERE (2008)
The proposal of architecture for chemical splitting to optimize QSAR models for aquatic toxicity
Andrea Colombo et al.
CHEMOSPHERE (2008)
A new hybrid system of QSAR models for predicting bioconcentration factors (BCF)
Chunyan Zhao et al.
CHEMOSPHERE (2008)
Legitimate Utilization of Large Descriptor Pools for QSPR/QSAR Models
Alan R. Katritzky et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2008)
Estimation of bioconcentration factors using molecular electro-topological state and flexibility
Y. Wang et al.
SAR AND QSAR IN ENVIRONMENTAL RESEARCH (2008)
Molecular electronegativity distance vector model for the Prediction of bioconcentration factors in fish
Shu-Shen Liu et al.
JOURNAL OF MOLECULAR MODELING (2008)
Modeling the toxicity of chemicals to Tetrahymena pyriformis using heuristic multilinear regression and heuristic back-propagation neural networks
Iiris Kahn et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2007)
Predicting bioconcentration factor values of organic pollutants based on medv descriptors derived QSARs
Cui ShiHai et al.
SCIENCE IN CHINA SERIES B-CHEMISTRY (2007)
Linear QSAR regression models for the prediction of bioconcentration factors by physicochemical properties and structural theoretical molecular descriptors
E. Papa et al.
CHEMOSPHERE (2007)
QSPR of the bioconcentration factors of non-ionic organic compounds in fish using extended topochemical atom (ETA) indices
K. Roy et al.
SAR AND QSAR IN ENVIRONMENTAL RESEARCH (2006)
A review of bioconcentration factor (BCF) and bioaccumulation factor (BAF) assessments for organic chemicals in aquatic organisms
Jon A. Arnot et al.
ENVIRONMENTAL REVIEWS (2006)
Special applications of fluorinated organic compounds
Grzegorz Lewandowski et al.
JOURNAL OF HAZARDOUS MATERIALS (2006)
Open computing grid for molecular science and engineering
Sulev Sild et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2006)
The accurate QSPR models to predict the bioconcentration factors of nonionic organic compounds based on the heuristic method and support vector machine
HX Liu et al.
CHEMOSPHERE (2006)
Modeling the bioconcentration factors and bioaccumulation factors of polychlorinated biphenyls with posetic quantitative super-structure/activity relationships (QSSAR)
Teodora Ivanciuc et al.
MOLECULAR DIVERSITY (2006)
Recent developments of the Chemistry Development Kit (CDK) - An open-source Java library for chemo- and bioinformatics
C Steinbeck et al.
CURRENT PHARMACEUTICAL DESIGN (2006)
Base-line model for identifying the bioaccumulation potential of chemicals
S Dimitrov et al.
SAR AND QSAR IN ENVIRONMENTAL RESEARCH (2005)
An update of the BCF QSAR model based on theoretical molecular descriptors
P Gramatica et al.
QSAR & COMBINATORIAL SCIENCE (2005)
Virtual computational chemistry laboratory - design and description
IV Tetko et al.
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2005)
Modelling bioconcentration of pesticides in fish using biopartitioning micellar chromatography
JM Bermudez-Saldaña et al.
JOURNAL OF CHROMATOGRAPHY A (2005)
A comparison of the fish bioconcentration factors for brominated flame retardants with their nonbrominated analogues
ML Hardy
ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY (2004)
Improved prediction of fish bioconcentration factor of hydrophobic chemicals
JC Dearden et al.
SAR AND QSAR IN ENVIRONMENTAL RESEARCH (2004)
QSPR study on the bioconcentration factors of nonionic organic compounds in fish by characteristic root index and semiempirical molecular descriptors
MT Saçan et al.
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2004)
Prediction of bioconcentration factor using genetic algorithm and artificial neural network
MH Fatemi et al.
ANALYTICA CHIMICA ACTA (2003)
QSAR Modeling of bioconcentration factor by theoretical molecular descriptors
P Gramatica et al.
QSAR & COMBINATORIAL SCIENCE (2003)
Predicting bioconcentration factors of highly hydrophobic chemicals. Effects of molecular size
SD Dimitrov et al.
PURE AND APPLIED CHEMISTRY (2002)
Non-linear modeling of bioconcentration using partition coefficients for narcotic chemicals
SD Dimitrov et al.
SAR AND QSAR IN ENVIRONMENTAL RESEARCH (2002)
Progressive study and robustness test of QSAR model based on quantum chemical parameters for predicting BCF of selected polychlorinated organic compounds (PCOCs)
DB Wei et al.
CHEMOSPHERE (2001)
Estimation of bioconcentration factors of nonionic organic compounds in fish by molecular connectivity indices and polarity correction factors
XX Lu et al.
CHEMOSPHERE (2000)