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Genotoxicity prediction by means of QSAR methods for regulatory purposes

Project description

Evaluating toxicity without testing on animals

The flow of toxic compounds to the environment is a global health issue. Assessing the situation is difficult. The toxicity evaluation of chemicals via animal testing is costly, time-consuming and ethically questionable. One alternative is to use the quantitative structure–activity relationship (QSAR) method. It is amongst the most recognised machine learning methods in drug design, toxicology, and industrial and environmental chemistry. Included in integrated testing strategies, QSARs can provide information for hazard and risk assessment, classification and labelling. In this context, the EU-funded GenoQSAR project will develop an ensemble of QSAR predictive models for several parameters related to the different kinds of genotoxicity damage. Particular attention will be placed on the generation of models for nanomaterials.

Objective

The concern to protect human health and the environment has prompted significant changes in EU regulation on chemical
substances. The European Chemicals Agency (ECHA) plays the role in implementing the Registration, Evaluation,
Authorization and Restriction of Chemicals (REACH) legislation, that requires industry to evaluate the toxicity of chemical
substances that are in use but have never been subjected to regulatory testing.

REACH regulation has also raised strong criticism and concern from society and industrials because of ethical and economic
reasons. The toxicity evaluation of chemicals requires costly, time-consuming and ethically questionable animal
experiments. As consequence, this European regulation promotes scientific innovation and encourages the use of results
generated by alternative methods, including especially non-testing methods (NTMs), also referred to as in silico tools.

Among them, “Quantitative Structure-Activity Relationships” (QSAR) methods are one of the most recognized machine
learning methods in drug design, toxicology, industrial and environmental chemistry. Nowadays, they can be included in
integrated testing strategies (ITS), to provide information for hazard and risk assessment, classification and labelling.

We propose the development of an ensemble of QSAR predictive models for several parameters related with the different
kinds of genotoxicity damage. These chemoinformatic will be implemented on a proprietary computational technological
platform. Particular attention will be also payed to the generation of models for nanomaterials, taking into account their high
and growing impact nowadays on industry in general.The QSAR models and integration algorithms will be characterized by
their reliability, and will be developed according to the rules set out by the OECD, therefore guaranteeing their validity in
REACH.

Fields of science (EuroSciVoc)

Keywords

Programme(s)

Topic(s)

Funding Scheme

MSCA-IF - Marie Skłodowska-Curie Individual Fellowships (IF)

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Call for proposal

(opens in new window) H2020-MSCA-IF-2020

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Coordinator

PROTOQSAR 2000 SL
Net EU contribution
€ 172 932,48
Address
C SALVADOR FERRANDIS LUNA 45 PTA 23
46018 Valencia
Spain
SME
Yes
Region
Este Comunitat Valenciana Valencia/València
Activity type
Private for-profit entities (excluding Higher or Secondary Education Establishments)
Links
Total cost
€ 172 932,48