Predictive Toxicology

Cell Models

Our research in endopcrine disruptors comprises the development and application of a battery of cell and organ models. We apply these for investigating mechanisms of actions of chemicals and for screening purposes with the aim of prioritizing chemicalse for further testing. Our battery includes: Reporter gene assays for the androgen receptor, estrogen receptor, thyroid receptor, Ah receptor, and PPARs as well as more functional assays to test for effects on adipocyte differentiation, embryotoxicity and steroid hormone synthesis. Thus, we cover in a broad sense mechanisms of endocrine disruption.

(Q)SAR

(Quantitative) Structure Activity Relationships ((Q)SARs) are the relationships between the structural properties of chemical substances and another property. This other property can be a physico-chemical property or a biological activity, including the ability to cause toxic effects.

QSAR models can reduce the number of animal tests necessary in the assessment of chemical substances, increase the information for a given substance (including metabolites and degradation products), and save companies and authorities time and money.

We develop, buy and validate (Q)SAR models. We focus on so-called "global" models with large chemical applicability domains.

A (Q)SAR prediction database containing predictions for more than 180,000 organic substances from more than 70 (Q)SAR models has been established. The predicted endpoints cover physico-chemical properties, fate, eco-toxicity, absorption, metabolism and toxicity. More than half of all the estimates are for mammalian (human) in vitro and in vivo toxicity endpoints.

The database is constantly growing as new models are obtained or developed in-house. Moreover, a largely expanded new version of the database containing >600,000 substances is under development and scheduled to be made publicly available on our homepage in 2015.

Collaborations

Cell Models
  • Danish Environmental Protection Agency
  • Copenhagen University
  • University of Southern Denmark- Odense
  • University of Aarhus
  • University Hospital of Denmark
  • International partners in the EU projects ChemScreen and Contamed (link).
  • OECD Environment Directorate Working Groups
(Q)SAR
  • Danish Environmental Protection Agency
  • U.S. Environmental Protection Agency, National Center for Computational Toxicology
  • Bourgas University Laboratory of Mathematical Chemistry,    Bulgaria

Links

Cell Models

Contamed

(Q)SAR

Danish (Q)SAR Database Online

Danish Environmental Protection Agency

OECD QSAR Toolbox

Research Groups

http://www.food.dtu.dk/english/topics/chemical-exposure/qsar-og-cell-models
20 APRIL 2018