Further study of QSPR in the field of safety science is also proposed.
展望了QSPR在安全研究领域的应用前景。
Linear solvation energy technique was used to develop quantitative structure-property relationships (QSPR) model.
应用线性溶剂化能方法构建定量结构-性质相关(QSPR)模型。
The definition and approach of research on quantitative structure-pharmacokinetic relationship (QSPR) were outlined.
概述定量构动关系研究的内容和方法。
Cross validation and prediction results show that this QSPR model is of good stability and powerful prediction ability.
交叉验证和预测结果表明,所建立的QSPR模型具有良好的稳定性和预测能力。
All the correlation coefficients are larger than 0. 99. The results show that the topological index is a useful index in QSPR studies.
它们的相关系数均大于0.99,表明该指数有望在QSPR研究中作为一个新的参数而获得推广应用。
A quantitative structure-property relationship (QSPR) model based on artificial neural networks was established to predict the flash points of fatty alcohols.
建立了一个基于人工神经网络方法的定量结构-性质相关性(QSPR)研究模型,用于预测脂肪醉闪点。
These results demonstrate that the quantitative structure-property relationship(QSPR) models have a high correlativity, fine stability and precise predictability.
结果表明,所建定量结构性质相关(QSPR)模型的相关性高、稳健性好、预测能力强。
OBJECTIVE To study and demonstrate the application of neural network to research the quantitative structure-pharmacokinetic relationship(QSPR)of 61 kinds of antimicrobial agents.
目的应用人工神经网络方法对6 1种抗生素进行药物分子结构和药物血浆蛋白结合率的定量结构-药物动力学关系的研究(QSPR)。
Study on quantitative structure-property relationship (QSPR) of organics would be helpful in researching for equeous solubility (pS) and octanal-water partition coefficients (logKsw) of organics.
基于定量结构-性质关系(QSPR)研究有机物的性质具有重要意义。
Study on quantitative structure-property relationship (QSPR) of organics would be helpful in researching for equeous solubility (pS) and octanal-water partition coefficients (logKsw) of organics.
基于定量结构-性质关系(QSPR)研究有机物的性质具有重要意义。
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