Supplementary data.docx (93.6 kB)
Supplementary information. Molecular modelling studies on [4-(3H-Benzoimidazol-5-yl)-pyrimidin-2-yl]-amine-based CDK4 inhibitors
figureposted on 2021-07-02, 08:55 authored by Yongli Du, Han Lv, Zhipei Gao, Jingkang Shen, Xiehuang Sheng
1. K-means clustering algorithms method
Figure S1. Williams plot of the current QSAR model. Influential compounds were pointed with high h values higher than the warning value h*. No outliers are observed which can be judged by their standardized residuals greater than three standard deviation units (3σ). Black squares represent the training set and red triangles represent the test set.