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A new method is presented for the calculation of octanol/water partition coefficients. On the basis of summation of atomic contributions, our algorithm, namely; XLOGP, also incorporate correction factors into the calculation. Multivariate regression analysis was performed on a training database of 1831 organic compounds with diverse structures to give the final model. The correlation coefficients for the whole set fitting is 0.968 and the standard deviation is 0.37. The result shows that our model is accurate enough for logP estimation in QSAR studies. Compared to other similar approaches, our method gives better results and is more convenient to use. 相似文献
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微波消解石墨炉原子吸收法测定人发中的铅、镉 总被引:2,自引:0,他引:2
采用石墨炉原子吸收分光光度法(GFAAS)测定人发中的铅、镉含量.采用微波消解法消解样品,加入(NH4)2SO4+KH2PO4基体改进剂消除干扰,对消化剂种类、消解压力、仪器条件等进行了探索.方法简便、准确度高,Pb和Cd的平均回收率分别为101.8%和107.1%,相对标准偏差(RSD)为5.14%和6.80%,方法检出限Pb为9.53 ng/mL,Cd为0.78 ng/mL. 相似文献
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使用TVOC混合标准溶液对气相色谱法检测室内空气样品中总挥发有机物的方法进行了探索。改进后的色谱分析时间为26.1min,比GB/T 18883-2002方法(52min)缩短了25.9min,TVOC各物质峰分离度高于99%,检测精密度相对标准偏差在1.05%至2.89%之间,回收率在95%到102%之间,检出限为0.020μg。 相似文献
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