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评述了QSAR/QSPR研究中应用的44种量化参数及其意义.回顾了量化参数在预测化学品的生物活性,物理、化学性质方面的应用,着重讨论了量化参数在预测化学品的理化溶解能关系、分配系数、酸解离常数和比较分子力场分析等研究中的作用.展望了量化参数的应用前景,有利于化学品的风险评价、生物活性预测及量化参数在定量结构-活性-性质相关中的进一步应用
The 44 quantitative parameters used in QSAR / QSPR studies and their significance are reviewed. Reviewing the application of quantitative parameters in predicting the biological activity, physical and chemical properties of chemicals, the emphasis is put on the relationship between the quantitative parameters in predicting chemical and physical dissolution energies, partition coefficients, acid dissociation constants and comparative molecular field analysis In the role. The application prospects of quantitative parameters are prospected, which are conducive to the further application of chemical risk assessment, bioactivity prediction and quantitative parameters in quantitative structure-activity-property correlation