Comparison of global and mode of action-based models for aquatic toxicity

No abstract is available for this paper.

• Publication year

  2015

• Venue

  SAR and QSAR in environmental research (Print)

• Publication date

  2015-03-04

• Fields of study

  Medicine, Chemistry, Environmental Science

• Identifiers
  DOI 10.1080/1062936X.2015.1018939PMID 25783870
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar, PubMed

• No claims are published for this paper.

• No concepts are published for this paper.

• Prediction of Acute Aquatic Toxicity toward Daphnia Magna by using the GA-kNN Method

  2014cited by this paper
• Prediction of Aquatic Toxicity Mode of Action Using Linear Discriminant and Random Forest Models

  2013influential reference
• Development and validation of a quantitative structure–activity relationship for chronic narcosis to fish

  2013cited by this paper
• Support Vector Machine (SVM) as Alternative Tool to Assign Acute Aquatic Toxicity Warning Labels to Chemicals

  2010cited by this paper
• Predicting toxic action mechanisms of phenols using AdaBoost Learner

  2009cited by this paper
• Quantitative structure-activity relationship modeling of rat acute toxicity by oral exposure.

  2009cited by this paper
• Review of (Quantitative) Structure–Activity Relationships for Acute Aquatic Toxicity

  2008cited by this paper
• A novel approach to predict aquatic toxicity from molecular structure.

  2008cited by this paper
• A Hierarchical Clustering Methodology for the Estimation of Toxicity

  2008influential reference
• Mode of action-based local QSAR modeling for the prediction of acute toxicity in the fathead minnow.

  2007cited by this paper
• Introduction to Linear Regression Analysis

  2007cited by this paper
• A general structure-property relationship to predict the enthalpy of vaporisation at ambient temperatures

  2007cited by this paper
• A general structure-property relationship to predict the enthalpy of vaporisation at ambient temperatures.

  2007cited by this paper
• Discrimination between modes of toxic action of phenols using rule based methods

  2006cited by this paper
• Comparative classification study of toxicity mechanisms using support vector machines and radial basis function neural networks

  2005cited by this paper
• Inductive QSAR Descriptors. Distinguishing Compounds with Antibacterial Activity by Artificial Neural Networks

  2005cited by this paper
• Use of Structure Descriptors To Discriminate between Modes of Toxic Action of Phenols

  2005cited by this paper
• Assessing the reliability of a QSAR model's predictions.

  2005cited by this paper
• Statistically Validated QSARs, Based on Theoretical Descriptors, for Modeling Aquatic Toxicity of Organic Chemicals in Pimephales promelas (Fathead Minnow)

  2005cited by this paper
• An Accurate QSPR Study of O-H Bond Dissociation Energy in Substituted Phenols Based on Support Vector Machines

  2004cited by this paper
• A QSAR for baseline toxicity: validation, domain of application, and prediction.

  2004cited by this paper
• Comparison of Different Classification Methods Applied to a Mode of Toxic Action Data Set

  2004cited by this paper
• Predicting the carcinogenic potential of pharmaceuticals in rodents using molecular structural similarity and E-state indices.

  2003cited by this paper
• Stepwise discrimination between four modes of toxic action of phenols in the Tetrahymena pyriformis assay.

  2003cited by this paper
• Predicting three narcosis mechanisms of aquatic toxicity.

  2002cited by this paper
• Multivariate Discrimination between Modes of Toxic Action of Phenols

  2002cited by this paper
• Handbook of Molecular Descriptors

  2002cited by this paper
• Comparative assessment of methods to develop QSARs for the prediction of the toxicity of phenols to Tetrahymena pyriformis.

  2002cited by this paper
• Prediction of the acute toxicity (96-h LC50) of organic compounds to the fathead minnow (Pimephales promelas) using a group contribution method.

  2001cited by this paper
• Discriminating Toxicant Classes by Mode of Action: 2. Physico‐Chemical Descriptors

  2000cited by this paper
• Novel Variable Selection Quantitative Structure-Property Relationship Approach Based on the k-Nearest-Neighbor Principle

  2000cited by this paper
• Prediction of fathead minnow acute toxicity of organic compounds from molecular structure.

  1999cited by this paper
• Molecular Structure Description: The Electrotopological State

  1999cited by this paper
• Using probabilistic neural networks to model the toxicity of chemicals to the fathead minnow (Pimephales promelas): a study based on 865 compounds.

  1999cited by this paper
• A comparative study of molecular similarity, statistical, and neural methods for predicting toxic modes of action

  1998cited by this paper
• Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragmental Methods: An Analysis of ALOGP and CLOGP Methods

  1998cited by this paper
• Predicting modes of toxic action from chemical structure: Acute toxicity in the fathead minnow (Pimephales promelas)

  1997influential reference
• Structure-toxicity relationships for phenols to Tetrahymena pyriformis.

  1996cited by this paper
• QSARS of mutagens and carcinogens: two case studies illustrating problems in the construction of models for noncongeneric chemicals.

  1996cited by this paper
• Relationships between descriptors for hydrophobicity and soft electrophilicity in predicting toxicity.

  1993cited by this paper
• Classifying environmental pollutants

  1992cited by this paper
• “Volume fraction” correlation for narcosis in aquatic organisms: The key role of partitioning

  1988cited by this paper
• Quantitative structure-activity relationships in fish toxicity studies. Part 1: relationship for 50 industrial pollutants.

  1981cited by this paper
• Introduction General Considerations

  year unknowncited by this paper

• Selective degradation of organic pollutants in the aquatic environment by microplastic-derived dissolved organic matter through molecular photoresponse sequence transformation

  2024cites this paper
• In Silico Acute Aquatic Hazard Assessment and Prioritization Using a Grouped Target Site Model: A Case Study of Organic Substances Reported in Permian Basin Hydraulic Fracturing Operations

  2024cites this paper
• Application and progress of machine learning in pesticide hazard and risk assessment.

  2023cites this paper
• ПРОГНОЗУВАННЯ ТОКСИЧНОСТІ ХІМІЧНИХ РЕЧОВИН ІЗ ЗАСТОСУВАННЯМ ШТУЧНОЇ НЕЙРОННОЇ МЕРЕЖІ ПРЯМОГО ПОШИРЕННЯ СИГНАЛУ

  2023cites this paper
• Implementation of In Silico Toxicology Protocols in Leadscope.

  2022cites this paper
• Construction of an In Silico Structural Profiling Tool Facilitating Mechanistically Grounded Classification of Aquatic Toxicants

  2022cites this paper
• Prior Knowledge for Predictive Modeling: The Case of Acute Aquatic Toxicity

  2022cites this paper
• Relationships Between Aquatic Toxicity, Chemical Hydrophobicity, and Mode of Action: Log Kow Revisited

  2022cites this paper
• Humic acid promoted activation of peroxymonosulfate by Fe3S4 for degradation of 2,4,6-trichlorophenol: An experimental and theoretical study.

  2022cites this paper
• Generating accurate in silico predictions of acute aquatic toxicity for a range of organic chemicals: Towards similarity-based machine learning methods.

  2021cites this paper
• Increasing the acceptance of in silico toxicology through development of protocols and position papers

  2021cites this paper
• Implementation of in silico toxicology protocols within a visual and interactive hazard assessment platform.

  2021cites this paper
• Detection and toxicity modeling of anthraquinone dyes and chlorinated side products from a colored smoke pyrotechnic reaction.

  2021cites this paper
• Mesoporous Silica Platforms with Potential Applications in Release and Adsorption of Active Agents

  2020cites this paper
• Integrating QSAR models predicting acute contact toxicity and mode of action profiling in honey bees (A. mellifera): Data curation using open source databases, performance testing and validation.

  2020cites this paper
• Environmental Toxicology and Chemistry

  2019cites this paper
• Target site model: Predicting mode of action and aquatic organism acute toxicity using Abraham parameters and feature‐weighted k‐nearest neighbors classification

  2019cites this paper
• Chemometric modeling of Daphnia magna toxicity of agrochemicals.

  2019cites this paper
• Modeling the Sensitivity of Aquatic Macroinvertebrates to Chemicals Using Traits

  2019cites this paper
• MaNGA: a novel multi-niche multi-objective genetic algorithm for QSAR modelling

  2019cites this paper
• In silico toxicology protocols.

  2018cites this paper
• Target site model: Application of the polyparameter target lipid model to predict aquatic organism acute toxicity for various modes of action

  2018cites this paper
• Expert judgment based multicriteria decision models to assess the risk of pesticides on reproduction failures of grey partridge

  2017cites this paper
• Prediction of pesticide acute toxicity using two-dimensional chemical descriptors and target species classification

  2017cites this paper
• Global concentration additivity and prediction of mixture toxicities, taking nitrobenzene derivatives as an example.

  2017cites this paper
• In silico prediction of toxicity of phenols to Tetrahymena pyriformis by using genetic algorithm and decision tree-based modeling approach.

  2017cites this paper
• Mode of Action (MOA) Assignment Classifications for Ecotoxicology: An Evaluation of Approaches.

  2017cites this paper
• Adverse Outcome Pathway (AOP) Informed Modeling of Aquatic Toxicology: QSARs, Read-Across, and Interspecies Verification of Modes of Action.

  2016cites this paper
• QSAR study of the acute toxicity to fathead minnow based on a large dataset

  2016cites this paper
• A Bayesian network model for predicting aquatic toxicity mode of action using two dimensional theoretical molecular descriptors.

  2016cites this paper
• Data Quality in the Human and Environmental Health Sciences: Using Statistical Confidence Scoring to Improve QSAR/QSPR Modeling

  2015cites this paper
• Investigation of the Verhaar scheme for predicting acute aquatic toxicity: improving predictions obtained from Toxtree ver. 2.6.

  2015cites this paper
• Mode of Action Classi fi cations in the EnviroTox Database: Development and Implementation of a Consensus MOA Classi fi cation

  year unknowncites this paper