Norinder U
Astra Research Centre Södertälje, Sweden.
J Comput Aided Mol Des. 1990 Dec;4(4):381-9. doi: 10.1007/BF00117403.
An experimental design based 3-D QSAR analysis using a combination of principal component and PLS analysis is presented and applied to human corticosteroid-binding globulin complexes. The predictive capability of the created model is good. The technique can also be used as guidance when selecting new compounds to be investigated.
提出了一种基于主成分分析和偏最小二乘分析相结合的实验设计三维定量构效关系分析方法,并将其应用于人类皮质类固醇结合球蛋白复合物。所建立模型的预测能力良好。该技术在选择待研究的新化合物时也可作为指导。