EGFRpred: Download the algorithm and the datasets

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

Downloads

1. The EGFRindb ids of Benchmark dataset can be downloaded from: data here

EGFR10 dataset in smiles format: Active dataset | Inactive dataset

EGFR100 dataset in smiles format: Active dataset | Inactive dataset

EGFR1000 dataset in smiles format: Active dataset | Inactive dataset

2. The standard alone version (zipped) can be downloaded (35M): EGFRpred Standalone package. The package has been tested using Python 2.7.2. You need to have NumPy (>= 1.3), SciPy (>= 0.7), setuptools and scikit-learn python packages. You can easily install all the above python modules. Please refer to scikit installation guide

3. The standard alone version (zipped) can be downloaded (35M): EGFRpred Standalone package. The package has been tested using R 2.15 You need to install the randomForest package in R. Please refer to randomForest