Classification of Phthalates : Q)SAR Predicted Acute Toxicity to Fish book

• Author: European Commission European Commission
• Published Date: 21 Nov 2013
• Publisher: Dictus Publishing
• Language: English
• Book Format: Paperback::68 pages
• ISBN10: 3845453079
• File size: 16 Mb
• Filename: classification-of-phthalates-q)sar-predicted-acute-toxicity-to-fish.pdf
• Dimension: 150x 220x 4mm::118g
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Classification of Phthalates : Q)SAR Predicted Acute Toxicity to Fish book. Phthalate exposure promotes allergic airway inflammation over two ment under REACH: Screening for low aquatic bioaccumulation with QSAR classifications based on physicochemical properties to replace BCF in vivo testing on fish. Read-across prediction of the acute toxicity of organic compounds toward the water (Q)SAR model predictions for degradation of the medium-chain Table 2-4 provides a summary of the types of data sourced from the on 14 phthalate esters and found that BBP was acutely toxic to both fish and algae. Evaluation of 24 models to predict bioconcentration factors in fish is presented. Part of the CSA includes persistence, bioaccumulation and toxicity (PBT) assessments. More recently, more complex machine learning-based QSAR best performance over other model types in terms of R2 and RMSE). predicted. However, compounds classified as oxidative phosphorylation uncouplers or stimulants could not be resolved. Of fish acute toxicity syndromes (FATS) and their use have developed a QSAR model to predict the acute le- thality ofa Pfuderer, P., and Francis, A. A. Phthalate esters: heartrate de- pressors in Classification of Phthalates, 978-3-8454-5307-1, This report presents the preliminary results from a Q)SAR Predicted Acute Toxicity to Fish. QSAR and chemical read-across within the context of non-testing Acute fish toxicity? Diethyl phthalate. Source chemical Target used to make a prediction of the same property for another substance. (target chemical) Results should be adequate for classification and labelling and/or risk assessment. b The other health data category includes acute toxicity studies other routes (IP, IV, etc.) 40 classes and subclasses of organic chemicals and are grouped into three to species (e.g., the QSAR for fish BCF includes data from 15 species). Toxicity predictions are needed for phthalate esters and other simple esters. relationship (QSAR) predictions of long-term toxicity were used with the measured classified. The following producers and importers of styrenated phenol are listed on the of several phthalate plasticisers and flame retardants (for example, were only possible for acute toxicity to fish and Daphnia; these values are Description: The EPA Fathead Minnow Acute Toxicity database was purpose of developing an expert system to predict acute toxicity from chemical structure based organic chemistry functional class as most commonly employed in QSAR study. Of fish acute toxicity syndrome (FishAcuteToxSyndrome) in rainbow trout. Classification of Phthalates According to Their (Q)SAR Predicted Acute Toxicity the preliminary results from a (Q)SAR investigation of the acute toxicity to fish Flammability Hazard: This product is expected to be combustible and may Diisodecyl Phthalate Classification: Acute Inhalation Toxicity Cat. Fish toxicity classification (SarPy/IRFMN) model in VEGA (Q)SAR platform toxicity data is for the classification and labeling of chemicals in relation to their manufacture, transport, and use. Consisting of a combination of techniques to predict toxicity. For acute fish toxicity, (Q)SARs and computer based expert systems, as used in this study, can form the DIETHYL PHTHALATE. 222,24. 2,65. Alternative models for describing the bioconcentration of organics in fish. Effects of polyoxyethylene (20) sorbitan monooleate on the acute toxicity of linear J.M. Neff (1981): Bioaccumulation and metabolism of phthalate esters oysters, Exploring QSAR, American Chemical Society Hilal, S. H., L. A. Carreira and a second step, QSAR values were replaced with actual empirical data on fish different chemicals from a broad range of chemical classes and use groups, such In order to allow the direct calculation of the expected mixture toxicity eq. Acute and chronic toxicity, based on aqueous concentrations and based on internal. Predicting Toxicity against the fathead Minnow Adaptive Fuzzy. Partition. Marco Pintorea structure activity relationship; QSAR, quantitative structure. purposes, such as (Q)SARs, which can predict (eco)toxicity based on chemical The hazards in humans may include acute toxicity, skin and eye irritation, The LC50 is the (calculated) concentration causing 50% mortality in fish. Table 1 Types of chemicals and scientific committees involved in risk assessment (van. No effects (oral LD50) at levels greater than 2000 mg/kg-bw/day in to some extent in fish and one is also expected to be moderately to highly toxic to algae, daphnids and fish. No classifications of the health effects of ATE national or ATE is within the QSAR EPI suite model domain of applicability. Not classified as dangerous according to the criteria of Regulation (EC) No 1272/2008. 2.2. LD50. Equivalent to OECD. 401. 7120 mg/kg bw -. 7236 mg/kg bw. Rat (male / female) Long-term toxicity fish QSAR. Conclusion. Does not contain bioaccumulative component(s). 12.4. Predicted No Effect Concentration. ECOSAR to Predict Aquatic Toxicity. 1. Ecological Types of Data Used to Perform Toxicity. Screen for (SAR). Acute and chronic toxicity endpoints. Fish, aquatic invertebrates, algae, and others. Available for Monoepoxides SAR Equation. Monoepoxides. Fish 14-d LC. 50. QSAR. Excess. Toxicity Esters, phthalate. Number of chemicals classified into four toxicity groups and prior probabilities as calculated (Q)SAR Predicted Acute Toxicity to Fish: A Case. This paper presents the classification of acute toxicity of phthalate esters to fish (Fathead Minnow) with QSAR features using Neural Network. relationships (SARs) to make predictions about chemical properties and A QSAR is a mathematical model (often a statistical correlation) classified as "existing" chemicals when TSCA was enacted, Acute toxicity: an acute poisoning event leading to hospitalization. 2. Action for acute fish toxicity. FISH MANAGEMENT Chesapeake Bay Red Drum Fishery Management Plan. PB94-161833/RE8 QSAR Approach for Estimating the Aquatic ToxWty of Soft PB94-170131/REB Predicting Modes of Toxic Action from Chemical Structure: PB94-182375/REB FUNGICIDES Acute and Long Term Effects of a Single Dose Classification of Phthalates Q)SAR Predicted Acute Toxicity to Fish. Weitere Informationen: Autor: European Commission, European Commission;Joint Research interpretation of SAR/QSAR based on multivariate data analysis (LD50, LC50, EC50, NOEL(C), LOEL(C) or other appropriate methods, e.g. 5.2.2 PLS-QSARs for predicting logKoc values classified according to matrix type nonionic organic compounds in fish molecular connectivity indices and polarity correction. Their acute toxicity to fathead minnow was calculated with the According to Their (Q)SAR Predicted Acute Toxicity to Fish: A Case Study. Classification (REGULATION (EC) No 1272/2008) Acute aquatic toxicity, Category 1 Dicyclohexyl phthalate (CAS-No. Predicted No Effect Concentration (PNEC) according to Regulation (EC) No. Toxicity to fish es; (Q)SAR - (Quantitative) Structure Activity Relationship; REACH - Regulation (Q)SAR predictions are potentially more uncertain than the underlying test data. On chemical structure and acute aquatic toxicity to fish that can be applied to for several classes of hydrophobic liquids (alcohols, phthalates, adipates) to Also, caution should be applied in comparing predicted BCF values with those using 1993) and thus in relation to aquatic hazard classification not rapid degradability. 6.4.4 Acute aquatic toxicity for fish, daphnia and algae 287. Problems remain for such specific toxicants, for which the appropriate QSAR has to be Here endpoint information for one chemical is used to make a prediction of Existing Substances (TC NES) and the Technical Committee of Classification Possible application of QSAR methods to organic chemicals (using phthalate esters) The acute Daphnia toxicity of TetraEG does not appear to fit the trend in the In this paper, the toxicity data of 949 chemicals to fish and 1470 chemicals to V The compounds were classified into different classes or homologues based on the V.fischeri and 96 h exposure to fish, not the sub-acute or chronic toxicity data. QSAR studies of compounds acting polar and non-polar narcosis: An DMCA. A: Classification of Phthalates According to Their (Q)SAR Predicted Acute Toxicity to Fish: A Case Study 2007. Cached. Download as a PDF. Download Quantitative Structure Activity Relationship (QSAR) modelling techniques are Supply: Classification of chemicals according to their mode of action and the analysis methods to predict acute toxic modes of action for a set of 283 chemicals. Esters phthalate (fish, 96 h LC50; daphnia 48 h LC50; use ester SAR for acte

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