University of Insubria, QSAR Research Unit in Environmental Chemistry and Ecotoxicology, (Italy)
Browsing University of Insubria, QSAR Research Unit in Environmental Chemistry and Ecotoxicology, (Italy) by Endpoint

Browsing University of Insubria, QSAR Research Unit in Environmental Chemistry and Ecotoxicology, (Italy) by Endpoint "1. Physical Chemical Properties 1.8. Octanol-air partition coefficient (Koa)"

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Browsing University of Insubria, QSAR Research Unit in Environmental Chemistry and Ecotoxicology, (Italy) by Endpoint "1. Physical Chemical Properties 1.8. Octanol-air partition coefficient (Koa)"

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Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

Published: Geven Piir (2016-02-26)

Abstract: A database of environmentally hazardous chemicals, collected and modeled by QSAR by the Insubria group, is included in the updated version of QSARINS, software recently proposed for the development and validation of QSAR models by the genetic algorithm-ordinary least squares method. In this version, a module, named QSARINS-Chem, includes several datasets of ...

PhysChem EnvironFate EcoTox HumanHealth Regression QMRF
Papa, E.; Kovarich, S.; Gramatica, P. Development, Validation and Inspection of the Applicability Domain of QSPR Models for Physicochemical Properties of Polybrominated Diphenyl Ethers. QSAR Comb. Sci. 2009, 28, 790–796.

Published: Geven Piir (2015-04-01)

Abstract: Polybrominated diphenyl ethers (PBDEs) are a group of brominated flame retardants (BFRs), which were widely used in a variety of consumer products. Because of evidences of toxicity effects on different organisms and humans, as well as the ubiquitary profile of these compounds, PBDEs are considered an emerging group of toxic and persistent organic pollutants. ...

PhysChem Regression

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