Structure-Toxicity Relationships of Nitroaromatic Compounds (original) (raw)
The effects of characteristics of substituents on toxicity of the nitroaromatics: HiT QSAR study
Anatoly Artemenko, Jerzy Leszczynski, Leonid Gorb
Journal of Computer-Aided Molecular Design, 2008
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In Silico Quantitative StructureToxicity Relationship Study of Aromatic Nitro Compounds
sunil mishra
… Biology & Drug …, 2009
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QSAR modeling for predicting carcinogenic potency of nitroso-compounds using 0D-2D molecular descriptors
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A Computational Study of Toxicity of Nitrobenzenes Using QSPR and DFT-Based Molecular Surface Electrostatic Potential
Fakhr M. Abu-Awwad
2010
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QSTR with Extended Topochemical Atom Indices. 3. Toxicity of Nitrobenzenes toTetrahymena pyriformis
Kunal Roy
QSAR & Combinatorial Science, 2004
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Comparative QSTR studies for predicting mutagenicity of nitro compounds
pramod nair
Journal of Molecular Graphics & Modelling, 2008
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In silico prediction of the mutagenicity of nitroaromatic compounds using a novel two-QSAR approach
Max Leong
Toxicology in Vitro, 2017
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Agrawal Vijay
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QSAR studies for the acute toxicity of nitrobenzenes to the Tetrahymena pyriformis
lin feng
Journal of the Serbian Chemical Society, 2014
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Exploring Predictive QSAR Models Using Quantum Topological Molecular Similarity (QTMS) Descriptors for Toxicity of Nitroaromatics to Saccharomyces cerevisiae
Paul Popelier
QSAR & Combinatorial Science, 2008
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QSAR analysis of the toxicity of nitroaromatics in Tetrahymena pyriformis : structural factors and possible modes of action
Anatoly Artemenko, Leonid Gorb
SAR and QSAR in Environmental Research, 2011
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MUTAGENICITY PREDICTION FOR NITROAROMATIC COMPOUNDS USING QSTR MODELING Original Article
International Journal of Pharmacy and Pharmaceutical Sciences (IJPPS)
International Journal of Pharmacy and Pharmaceutical Sciences, 2014
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Analysis In Air, Toxicology And QSAR Modelling With Nitrophenols
Marco Orlandi
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Quantitative Structure−Carcinogenicity Relationship for Detecting Structural Alerts in Nitroso Compounds: Species, Rat; Sex, Female; Route of Administration, Gavage
Aliuska Morales Helguera
Chemical Research in Toxicology, 2008
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Quantum Chemistry Based Quantitative Structure–Activity Relationships for Modeling the (Sub)Acute Toxicity of Substituted Mononitrobenzenes in Aquatic Systems
Albertinka Murk
Environmental Toxicology and Chemistry, 2006
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In Silico Prediction of the Toxicity of Nitroaromatic Compounds: Application of Ensemble Learning QSAR Approach
amirreza daghighi
Toxics, 2022
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Identification of structural fingerprints for in vivo toxicity by using Monte Carlo based QSTR modeling of nitroaromatics
Anurag TK Baidya Ph.D., Pharmaceutical Engg. & Tech., IIT(BHU)
Toxicology Mechanisms and Methods, 2020
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The potential of computer-based quantitative structure activity approaches for predicting acute toxicity of chemicals
Elton Zvinavashe
2008
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Quantitative Structure-Based Modeling Applied to Characterization and Prediction of Chemical Toxicity
Ann Richard
Methods, 1998
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Modeling of the acute toxicity of benzene derivatives by complementary QSAR methods
Károly Héberger
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Description of the Electronic Structure of Organic Chemicals Using Semiempirical and Ab Initio Methods for Development of Toxicological QSARs
Marjan Vračko
Journal of Chemical Information and Modeling, 2005
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