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Zawartość zarchiwizowana w dniu 2024-06-25

In silico tools to reduce the use of animals in toxicity testing for bio-reactive chemicals

Cel

European Union legislation for the Registration, Evaluation and Authorisation of CHemicals (REACH) calls for the toxicological assessment of a large number of substances. There will be a requirement to use in silico methods such as (quantitative) structure-activity relationships ((Q)SARs) to supplement the information obtained from other means.

The proposed project will enable the development of in silico tools for toxicity prediction that may be used to assess REACH chemicals. Industry and society within the European Union require these tools as suitable alternatives to animal testing. Specifically, the transfer of knowledge to the host institution will take place in the areas of reaction chemistry and molecular orbital theory for toxicity prediction, as well as for software development. To achieve this, the reaction mechanisms associated with reactive toxicity will be established. For such mechanisms, novel molecular orbital approaches to predict (electrophilic) reactivity associated with toxicity, where such algorithms are currently lacking, will be developed. These novel predictive molecular orbital approaches and algorithms will be used to estimate toxicity, for previously poorly predicted endpoints, through the development of (Q)SARs.

In addition, the relationships between reactive toxicity endpoints will be investigated. These innovations will lead to the development of a novel software application that is able to calculate the newly developed indices for reactivity, to assist in the rational prediction of toxicity. Such an application will be applied in Integrated Testing Strategies as a part of on-going activities to support REACH e.g. as a plug-in for the planned OECD (Q)SAR Application Toolbox. The project will require the recruitment of two experienced researchers and will allow for the development of areas of knowledge in the host institution relating to bio-reactive mechanisms, predictive toxicology, computational chemistry and software development.

Dziedzina nauki (EuroSciVoc)

Słowa kluczowe

Temat(-y)

Zaproszenie do składania wniosków

FP6-2005-MOBILITY-3
Zobacz inne projekty w ramach tego zaproszenia

System finansowania

TOK - Marie Curie actions-Transfer of Knowledge

Koordynator

LIVERPOOL JOHN MOORES UNIVERSITY
Wkład UE
Brak danych
Koszt całkowity
Brak danych