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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

ADMET Properties

  MetaPred (Cytochrome P450)

  ToxiPred (Aqueous toxicity)

  DrugMint (Drug-like)

  QED (Oral drug-like)

  Format Conversion



1. Compound Information :
In the submission form we have provided the option for user to either a) draw chemcial structure or b) paste/upload structure file in either MOL/SMILE/SDF format.

2. Prediction Approach :
TLR4hi is a web-server specially trained for the % inhibitory value prediction of chemical compounds. For prediction, we have calculated the descriptors from different software's and selection of the descriptors by WEKA and take those input features as the input of Multiple Linear Regression (MLR) for model development. This model will predict the inhibitory activity of the new chemical entity and also help in finding new molecule by generating analogs of known inhibitors that shows good inhibitory activity.

3. Results :
Results are seen in tabular format with Compound number and their % inhibitory value. For obtaining better results, please use 3D optimized strucutre of Chemical Compounds. You may predict the % inhibitory value of many compounds simultanously by uploading the file having n number of molecules.