Combined 2D-QSAR, Principal Component Analysis and Sensitivity Analysis Studies on Fluoroquinolones' Genotoxicity.

By analyzing the equation between the genetic toxicity and the parameters of FQs, it can be seen that the coefficients before TE, EG, Q YY , Q ZZ , Q XZ , Q YZ , CT, GE, log P , HL, and Mol Wt were all positive, indicating that they had positive effects on the genetic toxicity of FQs; that is, the genotoxicity of FQs showed an increasing trend with increasing TE, EG, Q YY , Q ZZ , Q XZ , Q YZ , CT, GE, log P , HL, or Mol Wt.

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In addition, the coefficients before q + , q − , E LUMO , PF, Q XX , Q XY , BP, MP, MR, IR-(C–O) svf, IR-brbvf, IR-mbvf, Raman-(C–O) svf, Raman-brsvf, and Raman-msvf were all negative, indicating that they had negative effects on the genetic toxicity of FQs (i.e., with increasing q + , q − , E LUMO , PF, Q XX , Q XY , BP, MP, MR, IR-(C–O) svf, IR-brbvf, IR-mbvf, Raman-(C–O) svf, Raman-brsvf, or Raman-msvf, the genotoxicity of FQs showed a decreasing trend). 3.2.

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