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Inhibitor Prediction
  KiDoQ (Mtb target)

  GDoQ (Mtb target)

  ABMpred (Mtb target)

  eBooster (Mtb target)

  MDRIpred (Mtb cell)

  CancerIN (Cancer)

  ntEGFR (Cancer EGFR)

  EGFRpred (Cancer EGFR)

  DiPCell (Pancreatic Cancer)

  DMKPred (Human Kinases)

  TLR4HI (Human TLR4)

  HIVFin (HIV)
Antigenic Properties
  Carbotope
ADMET Properties
  MetaPred (Cytochrome P450)

  ToxiPred (Aqueous toxicity)

  DrugMint (Drug-like)

  QED (Oral drug-like)
Descriptors
  Format Conversion

  WebCDK

  MetaServer
     

Help page of ntEGFR server

ntEGFR : is a webserver to predict the inhibition property of a molecule against wild and mutant EGFR molecule. This webserver has 3 modules:

a) Sketch Molecule:- This module helps the users to draw the chemcal structure. Using the Marvin applet, users have the choice to either build a new molecule or edit/modify a molecule.

The result will be displayed in tabular format

b) Virtual Screening:- Using this tool, users could screen their chemcial library and identify potential drug-like candidates with possibility score to be approved. This module works in two ways 1) Paste molecules with their ids 2) file upload in standard sdf/mol/mol2/smile format.

Wait Please wait while your file is being processed. Although the server is very fast, but still it takes time depending upon the size of input file.

Result The result will be displayed in tabular format,where user can sort their results by clicking the header of result table.

iii) Analog Designing:- To generate new analogs, users will require a scaffold structure, building blocks (R-groups) and linkers. Finally, our server will use the analogs for prediction of drug likeness.

Running example We have provided the example files for scaffold, linker and building blocks. These can be loaded to run the example by simply clicking on the "use example" button.

Wait Please wait while your file is being processed. Although the server is very fast, but still it takes time depending upon the size of input file.

Result The result will be displayed in tabular format,where user can sort their results by clicking the header of result table.