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GB/T 24780-2009 English PDF

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GB/T 24780-2009: Guidance on the validation of (Q) SAR models for chemicals properties -- Physicochemical properties
Status: Valid
Standard IDUSDBUY PDFLead-DaysStandard Title (Description)Status
GB/T 24780-2009189 Add to Cart 3 days Guidance on the validation of (Q) SAR models for chemicals properties -- Physicochemical properties Valid

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Basic data

Standard ID: GB/T 24780-2009 (GB/T24780-2009)
Description (Translated English): Guidance on the validation of (Q) SAR models for chemicals properties -- Physicochemical properties
Sector / Industry: National Standard (Recommended)
Classification of Chinese Standard: A80
Classification of International Standard: 13.300
Word Count Estimation: 8,860
Date of Issue: 2009-12-15
Date of Implementation: 2010-07-01
Regulation (derived from): Announcement of Newly Approved National Standards No. 15 of 2009 (total 155)
Issuing agency(ies): General Administration of Quality Supervision, Inspection and Quarantine of the People's Republic of China, Standardization Administration of the People's Republic of China
Summary: This standard specifies the physical and chemical properties of chemicals (Q) SAR model validation guidelines. This standard applies to existing and future development of the various (Q) SAR models.

GB/T 24780-2009: Guidance on the validation of (Q) SAR models for chemicals properties -- Physicochemical properties


---This is a DRAFT version for illustration, not a final translation. Full copy of true-PDF in English version (including equations, symbols, images, flow-chart, tables, and figures etc.) will be manually/carefully translated upon your order.
Guidance on the validation of (Q) SAR models for chemicals properties.Physicochemical properties ICS 13.300 A80 National Standards of People's Republic of China Validation Guidance chemical properties (Q) SAR model Physical and Chemical Properties Posted 2009-12-15 2010-07-01 implementation Administration of Quality Supervision, Inspection and Quarantine of People's Republic of China Standardization Administration of China released

Foreword

The standard reference uses Organisation for Economic Co-operation and Development (OECD) Guidelines document ENV/JM/MONO (2007) 2 "(quantitative) structure - Verification activity relationships [(Q) SAR] model guidance document "(in English), which related to the technical content of the above documents exactly. Appendix A of this standard is an informative annex. This standard is managed by the National Standardization Technical Committee chemicals dangerous (SAC/TC251) and focal points. This standard is drafted by. AQSIQ's import and export of chemical safety research center. Participated in the drafting of this Standard. China Inspection and Quarantine Science Research Institute, Hubei Exit Inspection and Quarantine, the Chemical Institute of Standardization, Shandong CIQ. The main drafters of this standard. Cheng Yan, Falls Apart, Lee , Songnai Ning, Zhou Xin, Cui Hairong, Guo Jian. This standard is the first release.

Introduction

EU on June 1, 2007 through legislation "chemicals Registration, Evaluation, Authorization and Restriction" (hereinafter referred to as the REACH Regulation), and in 2008 June 1 formally implemented. After the implementation of the regulation of chemicals entering the EU market for unified management. I State response to the EU REACH regulations, developed a series of chemical safety standards equivalent to the relevant technical transformation of the EU REACH Regulation content. EU REACH Regulation and the United Nations' Globally Harmonized System of Classification and Labeling "(GHS) in order to reduce animal testing, clearly stipulates Given the forecast (Q) SAR model prediction method can be used in certain circumstances the chemical properties. This standard is in response to the EU REACH regulations on the use of technical indicators reference to OECD Guidance Document ENV/JM / MONO (2007) 2 "(Quantitative) Structure - Activity Relationships [(Q) SAR] validated the model guidance document" (in English) and REACH Technology Law Regulation EUR21866EN2005 "(quantitative) structure - activity relationship characteristics. initial guidance" (in English), and their relevant technical content Exactly these documents, the establishment of a verification guide chemicals physicochemical properties (Q) SAR model. Validation Guidance chemical properties (Q) SAR model Physical and Chemical Properties

1 Scope

This standard specifies the physical and chemical properties of chemicals Validation Guide (Q) SAR model. This standard applies to existing as well as a variety of (Q) SAR model developed in the future.

2 Terms and definitions

The following terms and definitions apply to this standard. 2.1 Run the model to evaluate the absolute minimum amount of information, the degree of expression of the variable in the descriptor modeling estimates centralized model. 2.2 When modeling set to interfere and when to re-establish centralized model from the modeling of disturbed stability of the model parameters and therefore Stability leads to predictions, providing an indication of the sensitivity of the model parameters for modeling set change. 2.3 Chemical properties of the model to predict the ability built evaluation used to predict chemical properties of the test set to be evaluated.

3 Principles for the Validation

3.1 determine the end point. 3.2 explicit calculation algorithm. 3.3 determine the range of applications. 3.4 Evaluation meets the appropriate degree, applicable and predictive capabilities. 3.5 If possible, provide a mechanism to explain.

4 Verify the principles set forth

4.1 determine the end point 4.1.1 when using (Q) SAR models to predict the physical and chemical properties of chemicals commonly used to end the physical and chemical parameters, including melting point / Pour point, boiling point, vapor pressure, water solubility, octanol/water partition coefficient (Kow), relative density, surface tension, flash point. 4.1.2 when using (Q) SAR models to predict the physical and chemical properties of chemicals commonly used descriptor includes n-octanol/water partition coefficient (Kow), water solubility, molecular weight, molecular volume and so on. 4.1.3 a definite end at least the following factors. a) generating a set of detailed information modeling data; Different b) the test program will not result in significantly different end values; Different c) test solutions internal factors do not lead to different results; d) (Q) range of chemicals SAR prediction object is contained within the target range of chemicals test solutions; e) end (Q) SAR prediction of the end of the test program of the same;
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