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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
     

Multiple Submission



This tool allow users to submit more than one chemical compounds in SDF format at a time and subsequent prediction of pIC50 (µM). There are two models provided here on this page for the users, (1) QSAR based model: This model uses PaDEL based descriptors for the prediction of pIC50 and (2). Similarity based model: This model first calculates the similarity of the input molecule with the known inhibitors of XIAP and input molecule will be assigned with average pIC50 of top 10 similar inhibitors (based of tanimoto coefficient) as predicted pIC50. For more information click help.



  Paste your structure(s) in SDF format



   

OR  Upload File :   example file


QSAR Based       Similarity Based


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