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 Species

Browsing University of Insubria, QSAR Research Unit in Environmental Chemistry and Ecotoxicology, (Italy) by Species "Pseudokirchneriella subcapitata"

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Browsing University of Insubria, QSAR Research Unit in Environmental Chemistry and Ecotoxicology, (Italy) by Species "Pseudokirchneriella subcapitata"

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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
Gramatica, P.; Cassani, S.; Roy, P. P.; Kovarich, S.; Yap, C. W.; Papa, E. QSAR Modeling is not “Push a Button and Find a Correlation”: A Case Study of Toxicity of (Benzo-)triazoles on Algae. Molecular Informatics 2012, 31, 817–835.

Published: Iiris Kahn (2016-08-29)

Abstract: A case study of toxicity of (benzo)triazoles ((B)TAZs) to the algae Pseudokirchneriella subcapitata is used to discuss some problems and solutions in QSAR modeling, particularly in the environmental context. The relevance of data curation (not only of experimental data, but also of chemical structures and input formats for the calculation of molecular descriptors), ...

EcoTox Regression

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