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- W2352582409 abstract "Comparative molecular field analysis(CoMFA) and Comparative molecular similarity indices analysis(CoMSIA)were performed on a series of 30 aldehydes and phenols usually involving to leather chemicals. The 3D-QSAR of COMFA and COMISA models were established based on their median lethal concentration(LC50). In the CoMFA model, r2=0.724,q2=0.953; and in the CoMSIA model, r2=0.657, q2=0.904. The results shows that both models are effective and high predictive; The activities of the aldehydes and phenols are relevant with their molecular structure." @default.
- W2352582409 created "2016-06-24" @default.
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- W2352582409 date "2014-01-01" @default.
- W2352582409 modified "2023-09-27" @default.
- W2352582409 title "The Buliding and Analyse of 3D-QSAR Models of LC_(50) of Anilines and Phenols Used" @default.
- W2352582409 hasPublicationYear "2014" @default.
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