Published in Chem Res Toxicol on December 01, 2002
From data point timelines to a well curated data set, data mining of experimental data and chemical structure data from scientific articles, problems and possible solutions. J Comput Aided Mol Des (2013) 0.87
Low potency toxins reveal dense interaction networks in metabolism. BMC Syst Biol (2016) 0.75
Free radicals and antioxidants in normal physiological functions and human disease. Int J Biochem Cell Biol (2006) 21.58
Methods for reliability and uncertainty assessment and for applicability evaluations of classification- and regression-based QSARs. Environ Health Perspect (2003) 3.53
Determinants of skin sensitisation potential. J Appl Toxicol (2008) 2.11
Current status of methods for defining the applicability domain of (quantitative) structure-activity relationships. The report and recommendations of ECVAM Workshop 52. Altern Lab Anim (2005) 1.52
The expanding role of predictive toxicology: an update on the (Q)SAR models for mutagens and carcinogens. J Environ Sci Health C Environ Carcinog Ecotoxicol Rev (2007) 1.17
A European perspective on alternatives to animal testing for environmental hazard identification and risk assessment. Regul Toxicol Pharmacol (2013) 1.02
Prediction of michael-type acceptor reactivity toward glutathione. Chem Res Toxicol (2010) 0.97
Measurement and estimation of electrophilic reactivity for predictive toxicology. Chem Rev (2011) 0.96
Comparative assessment of methods to develop QSARs for the prediction of the toxicity of phenols to Tetrahymena pyriformis. Chemosphere (2002) 0.96
Read-across approaches--misconceptions, promises and challenges ahead. ALTEX (2014) 0.95
Novel approach for efficient predictions properties of large pool of nanomaterials based on limited set of species: nano-read-across. Nanotechnology (2014) 0.93
Mechanistic applicability domain classification of a local lymph node assay dataset for skin sensitization. Chem Res Toxicol (2007) 0.92
Experimental reactivity parameters for toxicity modeling: application to the acute aquatic toxicity of SN2 electrophiles to Tetrahymena pyriformis. Chem Res Toxicol (2010) 0.91
Electrophilic chemistry related to skin sensitization. Reaction mechanistic applicability domain classification for a published data set of 106 chemicals tested in the mouse local lymph node assay. Chem Res Toxicol (2007) 0.90
Consensus QSAR models: do the benefits outweigh the complexity? J Chem Inf Model (2007) 0.90
A comparative study of machine learning algorithms applied to predictive toxicology data mining. Altern Lab Anim (2007) 0.89
Description of the electronic structure of organic chemicals using semiempirical and ab initio methods for development of toxicological QSARs. J Chem Inf Model (2005) 0.89
Assessment and modeling of the toxicity of organic chemicals to Chlorella vulgaris: development of a novel database. Chem Res Toxicol (2004) 0.88
Toward a class-independent quantitative structure--activity relationship model for uncouplers of oxidative phosphorylation. Chem Res Toxicol (2008) 0.87
Quantitative structure-activity relationships (QSARs) for the prediction of skin permeation of exogenous chemicals. Chemosphere (2002) 0.87
The use of mechanisms and modes of toxic action in integrated testing strategies: the report and recommendations of a workshop held as part of the European Union OSIRIS Integrated Project. Altern Lab Anim (2009) 0.86
Structure-activity relationships for gene activation oestrogenicity: evaluation of a diverse set of aromatic chemicals. Environ Toxicol (2002) 0.85
Essential and desirable characteristics of ecotoxicity quantitative structure-activity relationships. Environ Toxicol Chem (2003) 0.84
Genotoxicity of metal oxide nanomaterials: review of recent data and discussion of possible mechanisms. Nanoscale (2015) 0.83
QSAR analysis of the toxicity of aromatic compounds to Chlorella vulgaris in a novel short-term assay. J Chem Inf Comput Sci (2004) 0.82
Does the extreme skin sensitization potency of benzoquinone result from special chemistry? Contact Dermatitis (2009) 0.82
In silico models for drug-induced liver injury--current status. Expert Opin Drug Metab Toxicol (2012) 0.81
Formation of categories from structure-activity relationships to allow read-across for risk assessment: toxicity of alpha,beta-unsaturated carbonyl compounds. Chem Res Toxicol (2008) 0.81
Structure-based classification of antibacterial activity. J Chem Inf Comput Sci (2002) 0.81
TIMES-SS--a mechanistic evaluation of an external validation study using reaction chemistry principles. Chem Res Toxicol (2007) 0.81
The SEURAT-1 approach towards animal free human safety assessment. ALTEX (2014) 0.81
Strategies for the optimisation of in vivo experiments in accordance with the 3Rs philosophy. Regul Toxicol Pharmacol (2012) 0.81
Structure-based methods for the prediction of drug metabolism. Expert Opin Drug Metab Toxicol (2006) 0.80
Verification of the structural alerts for Michael acceptors. Chem Res Toxicol (2007) 0.80
Quantitative structure-pharmacokinetic relationship modelling: apparent volume of distribution. J Pharm Pharmacol (2004) 0.80
Chemical reactivity indices and mechanism-based read-across for non-animal based assessment of skin sensitisation potential. J Appl Toxicol (2008) 0.80
Structure-toxicity relationships for the effects to Tetrahymena pyriformis of aliphatic, carbonyl-containing, alpha,beta-unsaturated chemicals. Chem Res Toxicol (2005) 0.80
Application of the modelling power approach to variable subset selection for GA-PLS QSAR models. Anal Chim Acta (2008) 0.79
Computational toxicology is now inseparable from experimental toxicology. Altern Lab Anim (2013) 0.79
Quantitative structure-permeability relationships for percutaneous absorption: re-analysis of steroid data. Int J Pharm (2002) 0.78
Pharmaceuticals in the environment: good practice in predicting acute ecotoxicological effects. Toxicol Lett (2008) 0.78
Pragmatic approaches to using computational methods to predict xenobiotic metabolism. J Chem Inf Model (2013) 0.78
Estrogenicity and acute toxicity of selected anilines using a recombinant yeast assay. Chemosphere (2003) 0.78
An integrated decision-tree testing strategy for eye irritation with respect to the requirements of the EU REACH legislation. Altern Lab Anim (2008) 0.77
How does the quality of phospholipidosis data influence the predictivity of structural alerts? J Chem Inf Model (2014) 0.77
Integrated decision-tree testing strategies for acute systemic toxicity and toxicokinetics with respect to the requirements of the EU REACH legislation. Altern Lab Anim (2008) 0.77
Mechanistic applicability domains for non-animal based prediction of toxicological endpoints. QSAR analysis of the schiff base applicability domain for skin sensitization. Chem Res Toxicol (2006) 0.77
Electrophilic reaction chemistry of low molecular weight respiratory sensitizers. Chem Res Toxicol (2009) 0.77
Integrated decision-tree testing strategies for mutagenicity and carcinogenicity with respect to the requirements of the EU REACH legislation. Altern Lab Anim (2008) 0.77
A review of the use of in silico methods to predict the chemistry of molecular initiating events related to drug toxicity. Expert Opin Drug Metab Toxicol (2011) 0.76
Stepwise discrimination between four modes of toxic action of phenols in the Tetrahymena pyriformis assay. Chem Res Toxicol (2003) 0.76
Proposed integrated decision-tree testing strategies for mutagenicity and carcinogenicity in relation to the EU REACH legislation. Altern Lab Anim (2007) 0.76
The use of a chemistry-based profiler for covalent DNA binding in the development of chemical categories for read-across for genotoxicity. Altern Lab Anim (2011) 0.76
Allergic contact dermatitis caused by a skin-lightening agent, 5,5'-dipropylbiphenyl-2,2'-diol. A comment. Contact Dermatitis (2012) 0.75
Comparative quantitative structure-activity-activity relationships for toxicity to Tetrahymena pyriformis and Pimephales promelas. Altern Lab Anim (2007) 0.75
Contact allergy to capryloyl salicylic acid: a mechanistic chemistry and structure-activity perspective. Contact Dermatitis (2015) 0.75
Integrated testing strategies for use in the EU REACH system. Altern Lab Anim (2006) 0.75
From experiment to theory: molecular orbital parameters to interpret the skin sensitization potential of 5-chloro-2-methylisothiazol-3-one and 2-methylisothiazol-3-one. Chem Res Toxicol (2005) 0.75
Application of a computational model for Michael addition reactivity in the prediction of toxicity to Tetrahymena pyriformis. Chemosphere (2011) 0.75
Molecular quantum similarity analysis of estrogenic activity. J Chem Inf Comput Sci (2003) 0.75
Quantitative structure-activity-activity and quantitative structure-activity investigations of human and rodent toxicity. Chemosphere (2006) 0.75
In silico toxicology challenges for pharmaceuticals: complacency or controversy? Altern Lab Anim (2009) 0.75
Correction: Genotoxicity of metal oxide nanomaterials: review of recent data and discussion of possible mechanisms. Nanoscale (2015) 0.75
Integrated decision-tree testing strategies for developmental and reproductive toxicity with respect to the requirements of the EU REACH legislation. Altern Lab Anim (2008) 0.75
An integrated decision-tree testing strategy for repeat dose toxicity with respect to the requirements of the EU REACH legislation. Altern Lab Anim (2008) 0.75
Diagnostic tools to determine the quality of "transparent" regression-based QSARs: the "modelling power" plot. J Chem Inf Model (2006) 0.75
Integrated decision-tree testing strategies for environmental toxicity with respect to the requirements of the EU REACH legislation. Altern Lab Anim (2008) 0.75
Modelling acute oral mammalian toxicity. 1. Definition of a quantifiable baseline effect. Toxicol In Vitro (2011) 0.75
Integrated testing strategies for use with respect to the requirements of the EU REACH legislation. Altern Lab Anim (2008) 0.75
Integrated decision-tree testing strategies for developmental and reproductive toxicity with respect to the requirements of the EU REACH legislation. Altern Lab Anim (2008) 0.75
Integrated decision-tree testing strategies for environmental toxicity with respect to the requirements of the EU REACH legislation. Altern Lab Anim (2006) 0.75
TIMES-SS--a promising tool for the assessment of skin sensitization hazard. A characterization with respect to the OECD validation principles for (Q)SARs and an external evaluation for predictivity. Regul Toxicol Pharmacol (2007) 0.75
Integrated decision-tree testing strategies for skin corrosion and irritation with respect to the requirements of the EU REACH legislation. Altern Lab Anim (2007) 0.75
An integrated decision-tree testing strategy for repeat dose toxicity with respect to the requirements of the EU REACH legislation. Altern Lab Anim (2008) 0.75
Report of the workshop on the validation of QSARs and other computational prediction models. Altern Lab Anim (2004) 0.75
Quantitative structure-activity relationships for the toxicity of organophosphorus and carbamate pesticides to the Rainbow trout Onchorhyncus mykiss. Pest Manag Sci (2006) 0.75
Integrated decision-tree testing strategies for acute systemic toxicity and toxicokinetics with respect to the requirements of the EU REACH legislation. Altern Lab Anim (2008) 0.75
Comparison of electrotopological-state indices versus atomic charge and superdelocalisability indices in a QSAR study of the receptor binding properties of halogenated estradiol derivatives. Mol Divers (2004) 0.75
An integrated decision-tree testing strategy for skin sensitisation with respect to the requirements of the EU REACH legislation. Altern Lab Anim (2007) 0.75
Chemistry-toxicity relationships for the effects of di- and trihydroxybenzenes to Tetrahymena pyriformis. Chem Res Toxicol (2005) 0.75
An integrated decision-tree testing strategy for skin sensitisation with respect to the requirements of the EU REACH legislation. Altern Lab Anim (2008) 0.75
Integrated decision-tree testing strategies for skin corrosion and irritation with respect to the requirements of the EU REACH legislation. Altern Lab Anim (2008) 0.75
An integrated decision-tree testing strategy for eye irritation with respect to the requirements of the EU REACH legislation. Altern Lab Anim (2008) 0.75