engleski

Comments on “Ozonation of a mixture of estrogens and progestins in aqueous solution: Interpretation of experimental results by computational methods” by Ekaterina V. Rokhina, Nagarjuna S. Vattikonda, Candice Johnson, Rominder P.S. Suri [Chemosphere 89(11) (2012) 1323-1329]

Developed models and modelling procedure from the title article have serious deficiencies and consequently those QSAR models will not be suitable for estimating the removal efficiency of estrogens or progestins by ozonation. The main problem with those QSAR models is a very small number of data points in respect to the number of descriptors that are present in those models. Another major problem with developed QSAR models is a very small range of removal efficiency.

ozonation ; estrogens ; computational methods

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