QSAR方程相关论文
目的：建立NSAIDs药物结构参数及理化参数与经皮渗透活性的QSAR模型，评价模型的预测准确程度并进行验证。
方法：选择14种NSAIDs作......
应用简易的量化方法计算了20多种硝基苯衍生物中的64个芳环FMO位电荷密度能SHOEi,用回归法建立一个新的生物毒性评价方程,-lgLC50=......
Quantitative Structure-activity Relationship for Heterogeneous Phenol Compounds Using Zero Point Ene
The calculations of quantum mechanical descriptors of 79 heterogeneous phenol compounds were presented at the HF/6-31G* ......
