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PRELIMINARY MLR STUDY OF PHOSPHORAMIDATE DERIVATIVES BASED ON DRAGON DESCRIPTOR
Abstract:
Phosphoramidates belong to an amide class of phosphoric acid. It was found that these compounds have particular importance most likely in medicine [1], chemistry [2] and agriculture (pesticides, herbicides) [3]. Phosphoramidates are important biologically active compounds, often used as intermediates in organic synthesis [4]. Our goal is to identify theoretical descriptors that can be correlated with the capacity factor (k’). For this reason a large amount of 2D descriptors using the DRAGON software were calculated. The statistical qualities of MLR have been evaluated by several parameters such as: the squares of correlation coefficient (R2), standard error of estimate (see), Fischer test (F).

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