In Silico Prediction of the Toxicity of Nitroaromatic Compounds: Application of Ensemble Learning QSAR Approach

A short review on the preparation and use of iron nanomaterials for the treatment of pollutants in water and soil

(2022) Marta I. Litter   Emergent Materials

Electrochemical Detection of Environmental Pollutants Based on Graphene Derivatives: A Review

(2021) Coster Kumunda et al.   Frontiers in Materials

Environmental occurrence, toxicity concerns, and remediation of recalcitrant nitroaromatic compounds

(2021) Muhammad Bilal et al.   JOURNAL OF ENVIRONMENTAL MANAGEMENT

Self-reductive palladium nanoparticles loaded on polydopamine-modified MXene for highly efficient and quickly catalytic reduction of nitroaromatics and dyes

(2021) Sen Chen et al.   COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS

Multi-output chemometrics model for gasoline compounding

(2021) Harbil Bediaga et al.   FUEL

In Vivo Toxicity of Nitroaromatic Compounds to Rats: QSTR Modelling and Interspecies Toxicity Relationship with Mouse

(2020) Yuxing Hao et al.   JOURNAL OF HAZARDOUS MATERIALS

Visualizing the effects of predictor variables in black box supervised learning models

(2020) Daniel W. Apley et al.   JOURNAL OF THE ROYAL STATISTICAL SOCIETY SERIES B-STATISTICAL METHODOLOGY

CO Activation Using Nitrogen-Doped Carbon Nanotubes for Reductive Carbonylation of Nitroaromatics to Benzimidazolinone and Phenyl Urea

(2020) Qiumin Wu et al.   ACS Applied Materials & Interfaces

A Refractive Index Study of a Diverse Set of Polymeric Materials by QSPR with Quantum-Chemical and Additive Descriptors

(2020) Meade E. Erickson et al.   MOLECULES

Remediation of different nitroaromatic pollutants by a promising agent of Cupriavidus sp. strain a3

(2020) Jyoti Tiwari et al.   ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY

Insights into pesticide toxicity against aquatic organism: QSTR models on Daphnia Magna

(2019) Lujue He et al.   ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY

Ecotoxicological QSAR modeling of endocrine disruptor chemicals

(2019) Kabiruddin Khan et al.   JOURNAL OF HAZARDOUS MATERIALS

A simple approach for assessment of toxicity of nitroaromatic compounds without using complex descriptors and computer codes

(2019) M.H. Keshavarz et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Environmental persistence, hazard, and mitigation challenges of nitroaromatic compounds

(2019) Jyoti Tiwari et al.   ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH

Prediction on the mutagenicity of nitroaromatic compounds using quantum chemistry descriptors based QSAR and machine learning derived classification methods

(2019) Yuxing Hao et al.   ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY

Toxicity of pharmaceuticals in binary mixtures: Assessment by additive and non-additive toxicity models

(2019) Š. Ukić et al.   ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY

Identification of structural fingerprints for in vivo toxicity by using Monte Carlo based QSTR modeling of nitroaromatics

(2019) Dipayan Mondal et al.   TOXICOLOGY MECHANISMS AND METHODS

Recent advances in nitroaromatic pollutants bioreduction by electroactive bacteria

(2018) Chun-Lian Zhang et al.   PROCESS BIOCHEMISTRY

Toxicity of aromatic pollutants and photooxidative intermediates in water: A QSAR study

(2018) Matija Cvetnic et al.   ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY

In vivo toxicity of nitroaromatics: A comprehensive quantitative structure-activity relationship study

(2017) Aminah Gooch et al.   ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY

On the aquatic toxicity of substituted phenols to Chlorella vulgaris : QSTR with an extended novel data set and interspecies models

(2017) Gulcin Tugcu et al.   JOURNAL OF HAZARDOUS MATERIALS

In silico prediction of the mutagenicity of nitroaromatic compounds using a novel two-QSAR approach

(2017) Yi-Lung Ding et al.   TOXICOLOGY IN VITRO

How the toxicity of nanomaterials towards different species could be simultaneously evaluated: a novel multi-nano-read-across approach

(2017) Natalia Sizochenko et al.   Nanoscale

A Historical Excursus on the Statistical Validation Parameters for QSAR Models: A Clarification Concerning Metrics and Terminology

(2016) Paola Gramatica et al.   Journal of Chemical Information and Modeling

Combination of Precolumn Nitro-reduction and Ultraperformance Liquid Chromatography with Fluorescence Detection for the Sensitive Quantification of 1-Nitronaphthalene, 2-Nitrofluorene, and 1-Nitropyrene in Meat Products

(2015) Kailin Deng et al.   JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY

Multi-output model with Box–Jenkins operators of linear indices to predict multi-target inhibitors of ubiquitin–proteasome pathway

(2015) Gerardo M. Casañola-Martin et al.   MOLECULAR DIVERSITY

Nitroaromatic compounds: Environmental toxicity, carcinogenicity, mutagenicity, therapy and mechanism

(2014) Peter Kovacic et al.   JOURNAL OF APPLIED TOXICOLOGY

QSARINS: A new software for the development, analysis, and validation of QSAR MLR models

(2013) Paola Gramatica et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Daphnia and fish toxicity of (benzo)triazoles: Validated QSAR models, and interspecies quantitative activity–activity modelling

(2013) Stefano Cassani et al.   JOURNAL OF HAZARDOUS MATERIALS

PaDEL-descriptor: An open source software to calculate molecular descriptors and fingerprints

(2010) Chun Wei Yap   JOURNAL OF COMPUTATIONAL CHEMISTRY

Best Practices for QSAR Model Development, Validation, and Exploitation

(2010) Alexander Tropsha   Molecular Informatics

On Two Novel Parameters for Validation of Predictive QSAR Models

(2009) Partha Pratim Roy et al.   MOLECULES

QSAR modeling of acute toxicity by balance of correlations

(2008) Andrey A. Toropov et al.   BIOORGANIC & MEDICINAL CHEMISTRY

The effects of characteristics of substituents on toxicity of the nitroaromatics: HiT QSAR study

(2008) Victor E. Kuz’min et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN