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QSAR Research Unit in Environmental Chemistry and Ecotoxicology

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    • QSAR-ME Profiler beta version: QSAR multiple endpoint profiler
    • IVBP-Suite beta version: in vitro biotransformation prediction suite
    • QSARINS-Chem ECO.44 beta version: prediction of in vitro intrinsic hepatic clearance
    • QSARINS-Chem standalone version software: Insubria datasets and models
    • QSARINS software for MLR model development and validation
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Activities

Main topics of researchperformed:

Screening and prioritization of Persistent, Bioaccumulative and Toxic compounds (PBTs) for regulatory purposes (REACH).

QSARINS software for MLR models development and Validation.

Study of structural and bioactivity properties of Nanoparticles.

Biodegradation and Bioaccumulation of organic chemicals.

Environmental fate of Persistent Organic Pollutants (POPs).

Tropospheric reactivity with oxidants of Volatile Organic Compounds (VOCs).

Environmental partitioning of organic pollutants (pesticides and other emerging pollutants).

Validation of QSAR models.

Toxicity of organic pollutants

Endocrine Disruptor Chemicals (EDCs)

Mutagenicity

Application of Chemometric Methods to other environmental problems

 

 

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