All Stories

  1. Modeling ready biodegradability of fragrance materials

    Article • Environmental Toxicology and Chemistry, April 2015, Wiley

    Dr Simona Kovarich

  2. Assessing predictive uncertainty in comparative toxicity potentials of triazoles

    Article • Environmental Toxicology and Chemistry, December 2013, Wiley

    Dr Simona Kovarich

  3. Molecular modelling of LXR binding to evaluate the potential for liver steatosis

    Article • Toxicology Letters, August 2013, Elsevier

    Dr Simona Kovarich

  4. Daphnia and fish toxicity of (benzo)triazoles: Validated QSAR models, and interspecies quantitative activity–activity modelling

    Article • Journal of Hazardous Materials, August 2013, Elsevier

    Dr Simona Kovarich

  5. QSARINS: A new software for the development, analysis, and validation of QSAR MLR models

    Article • Journal of Computational Chemistry, June 2013, Wiley

    Dr Simona Kovarich

  6. Reply to the comment of S. Rayne on “QSAR model reproducibility and applicability: A case study of rate constants of hydroxyl radical reaction models applied to polybrominated diphenyl ethers and (benzo-)triazoles”

    Article • Journal of Computational Chemistry, May 2013, Wiley

    Dr Simona Kovarich

  7. QSAR prediction of the competitive interaction of emerging halogenated pollutants with human transthyretin£

    Article • SAR and QSAR in Environmental Research, April 2013, Taylor & Francis

    Dr Simona Kovarich

  8. UNDERSTANDING QUANTITATIVE STRUCTURE–PROPERTY RELATIONSHIPS UNCERTAINTY IN ENVIRONMENTAL FATE MODELING

    Article • Environmental Toxicology and Chemistry, March 2013, Wiley

    Dr Simona Kovarich

  9. QSAR Modeling is not “Push a Button and Find a Correlation”: A Case Study of Toxicity of (Benzo-)triazoles on Algae

    Article • Molecular Informatics, November 2012, Wiley

    Dr Simona Kovarich

  10. QSAR classification models for the screening of the endocrine-disrupting activity of perfluorinated compounds

    Article • SAR and QSAR in Environmental Research, February 2012, Taylor & Francis

    Dr Simona Kovarich

  11. QSAR classification models for the prediction of endocrine disrupting activity of brominated flame retardants

    Article • Journal of Hazardous Materials, June 2011, Elsevier

    Dr Simona Kovarich

  12. QSAR model reproducibility and applicability: A case study of rate constants of hydroxyl radical reaction models applied to polybrominated diphenyl ethers and (benzo-)triazoles

    Article • Journal of Computational Chemistry, May 2011, Wiley

    Dr Simona Kovarich

  13. On the Use of Local and Global QSPRs for the Prediction of Physico-chemical Properties of Polybrominated Diphenyl Ethers

    Article • Molecular Informatics, March 2011, Wiley

    Dr Simona Kovarich

  14. CADASTER QSPR Models for Predictions of Melting and Boiling Points of Perfluorinated Chemicals

    Article • Molecular Informatics, March 2011, Wiley

    Dr Simona Kovarich

  15. QSAR Modeling and Prediction of the Endocrine-Disrupting Potencies of Brominated Flame Retardants

    Article • Chemical Research in Toxicology, May 2010, American Chemical Society (ACS)

    Dr Simona Kovarich

  16. Development, Validation and Inspection of the Applicability Domain of QSPR Models for Physicochemical Properties of Polybrominated Diphenyl Ethers

    Article • QSAR & Combinatorial Science, April 2009, Wiley

    Dr Simona Kovarich