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Updated: Feb 23, 2026

High-Throughput Measurement and Classification of Organic P in Environmental Samples
Published on: June 8, 2011
Pre-selection and assessment of green organic solvents by clustering chemometric tools
Marek Tobiszewski1, Miroslava Nedyalkova2, Sergio Madurga3
1Department of Analytical Chemistry, Chemical Faculty, Gdańsk University of Technology (GUT), 11/12 G. Narutowicza St., 80-233 Gdańsk, Poland.
Abstract:
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 was also proved to be useful in the assessment of the obtained modelling results. The presented approach can be one of the first steps and support tools in the assessment of chemicals in terms of their greenness.
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