Modeling with Cyclic Subspace Regression for Quantitative Structureactivity Relationships of 1-Substituted 7-[3-[(ethylamino)methy]-1-pyrrolidinyl]

Abstract

Abstract: The cyclic subspace regression(CSR) was analyzed from the viewpoint of linear functiona LIN the paper. By extracting components from independent variable and dependent variable parameter matrixes, CSR circularly configured and expanded Krylov subspace, and ultimately a real function was obtained which was mapped into independent variable real space according to the least square criterion. The whole solving process subsumes LSR, PCR, PLS and other medial regression algorithms. The optimal modeLIs selected from which has the minimum predictive error and the maximum stability. By using modeling with CSR for quantitative structure-activity relationships of N₁ quinolone antibacterial, preferable results were obtained.

Key words: Cyclic subspace regression, Quantitative structure-activity relationship, N₁Quino-lone antibacterial, Modeling

CLC Number:

O639

TrendMD:

SUN Wei-Guo, CHEN De-Zhao, CHEN Ya-Qiu, YE Ning, HU Shang-Xu . Modeling with Cyclic Subspace Regression for Quantitative Structureactivity Relationships of 1-Substituted 7-[3-[(ethylamino)methy]-1-pyrrolidinyl][J]. Chem. J. Chinese Universities, 1999, 20(6): 861.

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Modeling with Cyclic Subspace Regression for Quantitative Structureactivity Relationships of 1-Substituted 7-[3-[(ethylamino)methy]-1-pyrrolidinyl]

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