EGFRpred: Virtual Screening of Chemical Library

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

Screening of Chemicals

This module is designed to provide service for the users who wish to screen anti-EGFR activity of their chemical/molecule libraries. User should submit library of molecules (paste their molecules or upload file containing molecules) for predicting EGFR inhibitors in their molecules. Library of chemicals should be submited in standard format (e.g., SMILES, SDF). For more information visit help page.

Paste your structure(s) in SMILES SDF format

  SELECT MODEL:
EGFR-10     (Highly efficient EGFR inhibitors)
EGFR-100   (Moderate efficient EGFR inhibitors)
EGFR-1000 (least efficient EGFR inhibitors)

  SELECT CLASS:
Generalized (Any class of EGFR inhibitors)
Pyrimidine     (Only Pyrimidine class of inhibitors)
Qualizonline (Only Qualizonline class of inhibitors)

  SELECT Threshold:

Selection of higher threshold value will predict inhibitors with high probability score, but less number of inhibitors will predict

OR Upload File : :

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