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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
     

Datasets used in ntEGFR

EGFR inhibitors Dataset: This dataset contains 128 quinazoline derivative inhibitors.

L858R mutant EGFR inhibitors Dataset: This datasets contains 56 imidazothiazoles and pyrazolopyrimidines derivative L858R mutant EGFR inhibitors.

Hybrid Dataset: Hybrid dataset having 184 experimentally validated inhibitors (128 Quinazoline derivative EGFR inhibitors + 56 imidazothiazoles and pyrazolopyrimidines L858R mutant EGFR inhibitors).

User can download different datasets used in this study from following table.

Sr. No.Data TypeNumber of moleculeLink
1EGFR inhibitors128Download !!!Comming Soon!!!
2mutant EGFR inhibitors56Download !!!Comming Soon!!!
3Mixed inhibitors184Download !!!Comming Soon!!!