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- W2368120904 abstract "Comparative molecular field analysis(CoMFA) method was applied to the study of the three-dimensional quantitative structure activity relationship(3D-QSAR) on a series of AHMA derivatives as potent anticancer agents.The CoMFA model of cross-validation has been well built.The best CoMFA model gives a good cross-validated value(q2) of 0.702 with an optimized component of 4,and a conventional correlation coefficient(r2) of 0.993.Moreover,the estimated standard error(S) is 0.085 and the statistical square deviation radio(F) is 448.5.The statistic parameters of the best CoMFA model show the model is reasonable and predictive.Seven compounds in test set were predicted and the result is closed to that of experiment.The analysis of CoMFA model suggests that selecting the R with an electron-withdrawing atom or group linking to its first atom,the R1 with electron-donating and the R2 with big volume will improve the activity." @default.
- W2368120904 created "2016-06-24" @default.
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- W2368120904 date "2007-01-01" @default.
- W2368120904 modified "2023-09-26" @default.
- W2368120904 title "3D-QSAR Study of AHMA Derivatives as Potent Anticancer Agents" @default.
- W2368120904 hasPublicationYear "2007" @default.
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