MDRIpred: A webserver for predicting inhibitor against drug tolrent M.Tuberculosis
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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
      MDRIpred

Datasets

Replication Dataset:

Dtasets were created from PubChem confirmatory BioAssay AID-492952 (replicating) screens of drug tolerant M.tb H37Rv in carbon starvation model Rep_dataset:This dataset involved screening of 2294 compounds from the BioAssay-488890 and identified 1453 inhibitors and 841 non-inhibitors for M.tb residing in replicating phase. After removing the salt/ions containing compounds, the final dataset was composed of total 2135 compounds of which 1355 compounds acted as replication mode inhibitor and rest were non-inhibitors.

The dataset used in this study is provided in the smile format with class active or decoys- Download dataset (SMILE format)

Non-Replication dataset

NRep_dataset: The confirmatory screening in this assay resulted in 1277 active and 1017 inactive compounds against non-replicating M.tb. After removing the compounds containing salt/ions, we got a final dataset of 2135 compounds, out of which 1206 were identified as inhibitors and 929 were non-inhibitors.

The dataset used in this study is provided in the smile format with class active or decoys- Download dataset (SMILE format)