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

ADMET Properties

  MetaPred (Cytochrome P450)

  ToxiPred (Aqueous toxicity)

  DrugMint (Drug-like)

  QED (Oral drug-like)

  Format Conversion



Welcome to Chemical Analogs Module

Lead optimization is a time consuming process in drug discovery. This tool generates all the possible analogs of the lead molecule based upon the combinations of user-defined different scaffolds, building blocks and linkers using the SmiLib package. Finally, the server will generate the virtual chemical library, which would be screened for active anti-cancer inhibitors based upon their potency score. After screening, the results will be displayed in tabular format with the facility to sort them as per user choice. For more information visit help page.

Paste Scaffold structure:
Paste Building Blocks structure:
Paste linkers :
Email Address (Optional):