Summary table of the data and code for this research project.
| Name of folder/file | Description |
|---|---|
| Figure_2_Chemical_Space | Data and code used to create the chemical space plot in Figure 2 of the manuscript. |
| Figure_3_Boxplot | Data and code used to create the box plot of Lipinski's descriptors in Figure 3 of the manuscript. |
| Figure_4_PCA | Data and code used to create the PCA scores plot in Figure 4 of the manuscript. |
| Figure_5_Gini | Data and code used to create the Gini index plot of feature importance in Figure 5 of the manuscript. |
| MODI_Index | Data and code used to compute MODI index |
| Table_2_QSAR_Model | Data (12 fingerprint descriptors) and code used to build the QSAR model using the random forest algorithm. |
| HCV_NS5B_Curated.csv | The curated data set of HCV NS5B (originally obtained from the ChEMBL database). |