2012
DOI: 10.4028/www.scientific.net/amm.195-196.380
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CoMSIA Study of a Series of N-Dichloroacetyl Oxazolidine Derivatives

Abstract: Comparative molecular similarity indices analysis (CoMSIA) were performed on N-dichloroacetyl oxazolidine derivatives as herbicide safeners. The best CoMSIA models that were generated using atom based alignmen, Rcv2=0.632, n=4, R2=0.927, F=31.796 and s=0.097. The contributions of steric field, electrostatics field, hydrophobicities field and hydrogenbond acceptor were 0.127, 0.260, 0.285 and 0.328, respectively. The CoMSIA model was satisfactory and would be useful for the future design of new N-dichloroacetyl… Show more

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