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Table 3 The QSAR models used by respondents

From: Use and perceived benefits and barriers of QSAR models for REACH: findings from a questionnaire to stakeholders

  Sample endpoints mentioned from actual applications of QSAR
Stake-holder group Physico-Chemical Properties Human Toxicity Ecotoxicity Environmental Properties
ACACON Boiling point Vapour pressure Mutagenicity/ genotoxicity (including Ames, micronucleus, mouse SCE, mouse COMET) Carcinogenicity Teratogenicity Acute toxicity (mammals) Skin irritation, corrosion, or sensitization Eye irritation Endocrine disruption (estrogenbinding, antiadrogenic activity)Reprotox hERG inhibition Acute aquatic invertebrate toxicity (Daphnia) Acute fish toxicity (fathead minnow, trout) Algae Toxicity Terrestrial Ecotoxicology (bees) Tetrahymena Bioaccumulation/ BCF Half-life in water/soil Ready biodegradability Abiotic hydrolysis/degradation Koc/soil adsorption
  Water solubility Partition coefficients (LogP/LogD)    
(8 of 13 subjects replied)     
REGUL Partition coefficients (Pow) Carcinogenicity Aquatic toxicity Bioaccumulation/ BCF
(6 of 12 subjects replied)   Reproductive toxicity Daphnia reproduction Degradation (DT50)
   Mutagenicity/ genotoxicity (also addressing metabolites) All ecotox part of EPI Suite (Aquatic toxicity acute andchronic algae fish and daphnia)  
   Acute toxicity Endocrine disruptions (estrogen and androgen binding)   
   Skin sensitization NOEC   
INDUS Partition coefficients (LogP) Mutagenicity Genotoxicity Carcinogenicity Teratogenicity Acute aquatic invertebrate toxicity (Daphnia) (LC50 daphnia magna as supporting information) Fish toxicity