CoMFA Study on Novel Substitute Oxazolidine Derivatives

Abstract:

A series of novel Substitute oxazolidine derivatives with potential herbicide safener activity has been modeled using a 3D quantitative structure-activity relationships approach known comparative molecular field analysis (CoMFA). The cross-validated q2 of CoMFA was 0.612, non-cross-validated R2 was 0.986, and F-test value was 120.1, respectively, with the biological activity of the compounds was expressed by pRC30 (root length). The results are critically discussed using a variety of statistical parameters. The CoMFA model was satisfactory and would be useful for the future design of new N-dichloroacetyl oxazolidine herbicide safener.

• Periodical: Advanced Materials Research (Volume 345)
• Pages: 320-325
• DOI: https://doi.org/10.4028/www.scientific.net/AMR.345.320
• Online since: September 2011
• Authors: Ying Fu, Hai Tao Li, Qing Shan Zhao, Fei Ye
• Keywords: 3D-QSAR, CoMFA, Substitute Oxazolidine Derivatives

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