JRC QSAR Model Database: EURL ECVAM DataBase service on ALternative Methods to animal experimentation: To promote the development and uptake of alternative and advanced methods in toxicology and biomedical sciences: SDF - STRUCTURE DATA FORMAT: How to create from SMILES

EURL ECVAM DataBase service on ALternative Methods to animal experimentation To promote the development and uptake of alternative and advanced methods in toxicology and biomedical sciences. This publication is a Tutorial by the Joint Research Centre (JRC), the European Commission’s science and knowledge service. It aims to provide user support. The scientific output expressed does not imply a policy position of the European Commission. Neither the European Commission nor any person acting on behalf of the Commission is responsible for the use that might be made of this publication.JRC.F.3-Chemicals Safety and Alternative Method

JRC QSAR Model Database: EURL ECVAM DataBase service on ALternative Methods to animal experimentation: Guideline for Authors and Editors

EURL ECVAM DataBase service on ALternative Methods to animal experimentation In the regulatory assessment of chemicals, Quantitative Structure-Activity Relationship (QSAR) models are playing an increasingly important role in predicting properties needed for hazard and risk assessment. The JRC QSAR Model Database provides information on the validity of QSAR models that have been submitted to the JRC. The database is intended to help to identify valid QSARs, e.g. for the registration and authorisation purposes of chemical substances within the context of REACH Registration, Evaluation, Authorisation and Restriction of Chemicals (EC 1907/2006), a European Union regulation dated 18 December 2006. The QSAR Model Reporting Format (QMRF) is a harmonised template for summarising and reporting key information on QSAR models, including the results of any validation studies. The information is structured according to the OECD principles for the validation of QSAR models.JRC.F.3-Chemicals Safety and Alternative Method

Alternative methods for regulatory toxicology – a state-of-the-art review

This state-of-the art review is based on the final report of a project carried out by the European Commission’s Joint Research Centre (JRC) for the European Chemicals Agency (ECHA). The aim of the project was to review the state of the science of non-standard methods that are available for assessing the toxicological and ecotoxicological properties of chemicals. Non-standard methods refer to alternatives to animal experiments, such as in vitro tests and computational models, as well as animal methods that are not covered by current regulatory guidelines. This report therefore reviews the current scientific status of non-standard methods for a range of human health and ecotoxicological endpoints, and provides a commentary on the mechanistic basis and regulatory applicability of these methods. For completeness, and to provide context, currently accepted (standard) methods are also summarised. In particular, the following human health endpoints are covered: a) skin irritation and corrosion; b) serious eye damage and eye irritation; c) skin sensitisation; d) acute systemic toxicity; e) repeat dose toxicity; f) genotoxicity and mutagenicity; g) carcinogenicity; h) reproductive toxicity (including effects on development and fertility); i) endocrine disruption relevant to human health; and j) toxicokinetics. In relation to ecotoxicological endpoints, the report focuses on non-standard methods for acute and chronic fish toxicity. While specific reference is made to the information needs of REACH, the Biocidal Products Regulation and the Classification, Labelling and Packaging Regulation, this review is also expected to be informative in relation to the possible use of alternative and non-standard methods in other sectors, such as cosmetics and plant protection products.JRC.I.5-Systems Toxicolog

EURL ECVAM Status Report on the Development, Validation and Regulatory Acceptance of Alternative Methods and Approaches (2015)

The EURL ECVAM status report provides an update on the progress made in the development, validation and regulatory acceptance of alternative methods and approaches and their dissemination since the last report published in June 2014. It is informing on ongoing research and development activities, validation studies, peer reviews, recommendations, strategies and regulatory/international acceptance of alternative methods and approaches and dissemination activities. R&D activities within large European or International consortia continued in toxicity areas where 3Rs solutions are more difficult to find due to the underlying complexity of the area. On the other hand, toxicity areas where promising non-animal approaches have been developed, their validation and regulatory acceptance/international adoption could be progressed. Particular emphasis was given to the best and most intelligent combination and integration of these different non-animal approaches to ultimately obtain the required information without resorting to animal testing.JRC.I.5-Systems Toxicolog

EURL ECVAM Status Report on the Development, Validation and Regulatory Acceptance of Alternative Methods and Approaches (2016)

Replacement, Reduction and Refinement of animal testing is anchored in EU legislation. Alternative non-animal approaches facilitate a shift away from animal testing. Cell-based methods and computational technologies are integrated to translate molecular mechanistic understanding of toxicity into safety testing strategies.JRC.F.3-Chemicals Safety and Alternative Method

JRC QSAR Model Database: EURL ECVAM DataBase service on ALternative Methods to animal experimentation: To promote the development and uptake of alternative and advanced methods in toxicology and biomedical sciences: User Support & Tutorial 2017

EURL ECVAM DataBase service on ALternative Methods to animal experimentation To promote the development and uptake of alternative and advanced methods in toxicology and biomedical sciences. This publication is a Tutorial by the Joint Research Centre (JRC), the European Commission’s science and knowledge service. It aims to provide user support. The scientific output expressed does not imply a policy position of the European Commission. Neither the European Commission nor any person acting on behalf of the Commission is responsible for the use that might be made of this publication.JRC.F.3-Chemicals Safety and Alternative Method

JRC QSAR Model Database: EURL ECVAM DataBase service on ALternative Methods to animal experimentation; guideline and protocol template for reviewers 2017

INTRODUCTION In the regulatory assessment of chemicals, Quantitative Structure-Activity Relationship (QSAR) models are playing an increasingly important role in predicting properties needed for hazard and risk assessment. The JRC QSAR Model Database provides information on the validity of QSAR models that have been submitted to the JRC. The database is intended to help to identify valid QSARs, e.g. for the registration and authorisation purposes of chemical substances within the context of REACH Registration, Evaluation, Authorisation and Restriction of Chemicals (EC 1907/2006), a European Union regulation dated 18 December 2006. The QSAR Model Reporting Format (QMRF) is a harmonised template for summarising and reporting key information on QSAR models, including the results of any validation studies. The information is structured according to the OECD principles for the validation of QSAR models.JRC.F.3-Chemicals Safety and Alternative Method