Colorectal Cancer Drug Activity Prediction Server

Help

1. Home Page

The user shall be directed to the Home Page of the webserver through the link: https://project.iith.ac.in/cgntlab/colorecpred/index.html. The Home Page has the introduction and the summary of the Prediction tool. Figure 1 illustrates the interface of the Home page.

Figure 1: The overview of the Home Page

2. Prediction Page

The Prediction Page is the main page for the prediction webserver. The user give the input in sdf format to determine the predicted logIC50 values of the given unknown molecules. Figure 2a, 2b and 2c show the schematics of the Prediction page.

Figure 2a: The Prediction page where the user can draw the structure or 2D SDF structure as input
Figure 2b: The various functionalities of the Prediction page.
Figure 2c: The prediction results page.
Figure 2d: The prediction results page.

3. Pasting SDF structures

The user needs copy the 2D SDF structure from the Pubchem website (link: https://pubchem.ncbi.nlm.nih.gov/).

A brief process of the same is as follows:
Pubchem Home Page -----> Enter Compound name in Search field -----> Select the compound from the list and the individual compound page will be diplayed -----> Select "Download" in the compound page -----> Select "Display" or "Save" from the 2D structure section -----> Copy and Paste the structure in the webserver.
The detailed workflow is given in the picture below:

Figure 3a: The workflow for pasting SDF structures from pubchem website.