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OALib Journal期刊
ISSN: 2333-9721
费用：99美元
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头孢地尼有关物质定量结构-色谱保留模型的建立
, PP. 1161-1166
Keywords: 头孢地尼,分子描述符,模型,定量结构-性质关系,定量结构-色谱保留
Abstract:
本项研究通过计算已知杂质结构的分子描述符,经筛选后与色谱保留行为数据关联建模,建立特定色谱系统条件下头孢地尼有关物质定量结构-色谱保留(qsrr)模型,并以其他杂质结构与色谱行为进行验证。以f_afrbwf、blbn_j、ssch3、sssch2、ssnh2、sssnh、ssss、shdch2、eem_afc、eem_afpl、eem_xfpl和pi_maxq12个分子描述符构建头孢地尼有关物质qsrr模型,18个有关物质的预测与实测结果总体r2=0.9836,最大相对保留时间差值为0.154,相对保留时间最大误差为10.17%。结果表明,头孢地尼有关物质qsrr模型可用于本品中有关物质分析方法评价与新杂质的色谱行为预测,为评价药品质控方法的有效性提供了新的思路。
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