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Data and Code

HCVpred: A web server for predicting the bioactivity of Hepatitis C virus NS5B inhibitors

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).

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