Guidance Documents and Reports related to (Q)SARs

Title

Link, document number and year of publication

Report of the Expert Consultation on Scientific and Regulatory Evaluation of Organic Chemistry Mechanism-Based Structural Alerts for the Identification of Protein-Binding Chemicals

Series on Testing and Assessment, No. 139 (2011)

Report of the Workshop on Using Mechanistic Information in Forming Chemical Categories

Series on Testing and Assessment, No. 138 (2011)

Report of the Expert Consultation on Scientific and Regulatory Evaluation of Organic Chemistry Mechanism-Based Structural Alerts for the Identification of DNA-Binding Chemicals

Series on Testing and Assessment, No. 120
Part 1 (2010)

Part 2 (2010)

Report of the Expert Consultation to Evaluate an Estrogen Receptor Binding Affinity Model for Hazard Identification

Series on Testing and Assessment, No. 111 (2009)

Report of the Workshop on Structural Alerts for the OECD (Q)SAR Application Toolbox

Guidance on Grouping of Chemicals

Series on Testing and Assessment, No. 80 (2007)

Guidance Document on the Validation of (Q)SAR Models

Series on Testing and Assessment, No. 69 (2007)

Report on the Regulatory Uses and Applications in OECD Member Countries of (Q)SAR Models in the Assessment of New and Existing Chemicals

Series on Testing and Assessment, No. 58 (2006)

Report from the Expert Group on (Q)SARs on Principles for the Validation of (Q)SARs

Series on Testing and Assessment, No. 49 (2004)

US EPA/EC Joint Project on the Evaluation of (Quantitative) Structure Activity Relationships

ENV Monograph No. 88 (1994)

[pages 1-81]

[pages 82-181]

[pages 182-296]

[pages 297-366]

Structure-Activity Relationships for Biodegradation

ENV Monograph No. 68 (1993)

Application of Structure-Activity Relationships to the Estimation of Properties Important in Exposure Assessment

ENV Monograph No. 67 (1993)

Report of the OECD Workshop on Quantitative Structure Activity Relationships (QSARs) in Aquatic Effects Assessment

ENV Monograph No. 58 (1992)

Title

Link, document number/version and date of publication

Manual for getting started

PDF (1.0; October 2010)

Getting started: Quick reference guide

PDF (1.0; October 2010)

IUCLID 5 Import/Export via Webservices

Guidance document for using the OECD (Q)SAR Application Toolbox to develop chemical categories according to the OECD Guidance on Grouping of Chemicals*

Series on Testing and Assessment No. 102 (2009)

Guidance on importing databases

PDF (1.0; April 2011)

Tips and tricks

PDF (1.1; February 2011)

Strategies for grouping chemicals for data gap filling for acute aquatic toxicity endpoints*

PDF (2010)

Strategies for grouping chemicals to fill data gaps to assess genetic toxicity and genotoxic carcinogenicity

PDF (1.0; January 2011)

Title and main features

Slides

Video tutorial

Step-by-step example on how to predict the skin sensitisation potential approach of a chemical by read-across based on an analogue approach

(for beginners)

PPT

Video

Step-by-step example of how to predict aquatic toxicity for an untested target chemical by the trend analysis approach

(for beginners)

PPT

Step-by-step example of how to predict Ames mutagenicity for a chemical by a qualitative read-across approach.

(for beginners)

Step-by-step example of how to predict acute toxicity to Tetrahymena pyriformis by trend analysis using category pruning capabilities

(July 2011)

Video

Step-by-step example of how to build and evaluate a category based on mechanism of action with protein and DNA binding

(July 2011)

Video

Step-by-step example of how to build a category for more than one target chemicals and predict acute toxicity to fish (July 2011)

Step-by-step example of how to evaluate an ad-hoc category of aliphatic amines and to predict an ecotoxicological endpoint

(July 2011)

PPT

Aliphatic amines.smi

Step-by-step example of how to build a user-defined profiling scheme

(July 2011)

Step-by-step example of how to categorize an inventory by mechanistic behaviour of the chemicals which it consists

(July 2011)

PPT

OECD Mock Inventory.smi

Step-by-step example of how to build a user-defined QSAR

(July 2011)

Video