Fig. 1

The overall functioning of the CANDI webserver. (A) Front page of the CANDI user interface for the compounds, formulation and similarity functions. (B) The compound information data could be obtained for all 2245 cannabis compounds using common names, SMILES, and PubChem IDs. By browsing the compound information, users can intuitively obtain targets for the compound with a predicted score, pharmacophore-similar compounds with similarity values, assay value and type, and graphical representation of the targets vs. score as a bar plot. (C) The Formulation page lets users download the file to add user values and upload the file for the target and pathway prediction. (i) Predicted targets are ranked according to the score and linked to their corresponding uniport entries. (ii) Pathways were mapped for the predicted targets from the Reactome database, and the pathway score was shown as an interactive table. (D) The compound-target-pathway similarly page allows the user to provide input for the cannabis compounds to identify the relationship between the compound-target and compound-pathway. The output is a heatmap with the download option for the image file and data in CSV format