Pre-selection and assessment of green organic solvents by clustering chemometric tools.

@article{Tobiszewski2018PreselectionAA,
  title={Pre-selection and assessment of green organic solvents by clustering chemometric tools.},
  author={Marek Tobiszewski and Miroslava A Nedyalkova and Sergio Madurga and Francisco Pena-Pereira and Jacek Namiesnik and Vasil D Simeonov},
  journal={Ecotoxicology and environmental safety},
  year={2018},
  volume={147},
  pages={
          292-298
        }
}
The study presents the result of the application of chemometric tools for selection of physicochemical parameters of solvents for predicting missing variables - bioconcentration factors, water-octanol and octanol-air partitioning constants. EPI Suite software was successfully applied to predict missing values for solvents commonly considered as "green". Values for logBCF, logKOW and logKOA were modelled for 43 rather nonpolar solvents and 69 polar ones. Application of multivariate statistics… CONTINUE READING
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