QSAR

 

kist
Integrated approach for Ecological Risk Assessment
based on a computer-assisted Prediction Model


KIST Europe Forschungsgesellschaft mbH
Saarbrücken

 

Summary


The objective of this study is to develop the new integrated approach of QSARs and exposure assessment models for ecological risk assessment, to improve the regulatory acceptance of prediction models under the REACH Regulation (the European chemical policy for the evaluation of chemicals: Regulation (EC) 1907/2006), focused on use of computer-assisted prediction of toxic effects of chemicals exposed to the soil environment. The current research plan extends to three specific studies. Each study aims at:
  1. Comparative study of QSAR models for prediction of toxic effects of chemicals exposed to the soil environment;
  2. Development of concepts for making initial hazard and ecological risk assessment based on non-test information;
  3. Integrated approach for ecological risk assessment based on read-across, chemical category approaches and QSAR predictions under REACH


Project Direction

Dr. Sanhun Kim (Project leader)
Prof. Dr. Gabriele E. Schaumann (Advisor)

Staff

Jonwoon Kim

Publications

with peer-review

2013

4. Kim, Jongwoon, Kim, Sanghun, Schaumann, Gabriele Ellen 2013. Reliable predictive computational toxicology methods for mixture toxicity: toward the development of innovative integrated models for environmental risk assessment. Reviews in Environmental Science and Bio/technology. 12 (3): 235-256. Download

3. Kim, Jongwoon, Kim, Sanghun, Schaumann, Gabriele Ellen 2013. A Case Study and a Computational Simulation of the European Union Draft Technical Guidance Documents for Chemical Safety Assessment of Mixtures: Limitations and a Tentative Alternative. Journal of Occupational and Environmental Hygiene. 10 (4): 181-193. Download

2. Kim, Jongwoon, Kim, Sanghun, Schaumann, Gabriele Ellen 2013. Development of QSAR-based two-stage prediction model for estimating mixture toxicity. SAR and QSAR in Environmental Research. DOI: 10.1080/1062936X.2013.815654. Download

2012

1. Kim, Jongwoon, Kim, Sanghun, Schaumann, Gabriele Ellen 2012. Development of a Partial Least Squares-Based Integrated Addition Model for Predicting Mixture Toxicity. Human and Ecological Risk Assessment: An International Journal. 10.1080/10807039.2012.754312. Download

Other publications

2009

1. Kim, Jongwoon, Kim, Sanghun, Schaumann, Gabriele Ellen 2009. Comparative study of Risk Assessment Approaches Based on Different Methods for Deriving DNEL and PNEC of Chemical Mixtures. Lee, Joung Hwan; Lee, Habin; Kim, Jung-Sik EKC 2009 Proceedings of EU-Korea Conference on Science and Technology. Heidelberg: Springer. 191-202.

Cooperation

KIST Europe Forschungsgesellschaft mbH
Saarbrücken