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DrugBug predicts the EC number (metabolic reaction and enzyme) and the metabolizing bacteria from human gut for an Input molecule in Three Steps. The options for the First Step are provided below.

Application

Step1: To predict Major EC class, please select from the following options.

1. Upload an sdf/mol file or provide a Pubchem CID for the input molecule.

2. Select the appropiate random forest model. The details on models are provided in Tutorial Section.

3. Choose the sampling procedure. Please refer to Tutorial section for details on different sampling procedures.

4. Select the prediction probablity threshold value which will be used for EC Class prediction.

Using this page, the query molecule will be assigned an EC class among the six major EC classes.

You will be directed to the next step (Step II) for predicting the EC sub-class.

STEP     I    :    Prediction    of     EC     class     (Enzyme)

1Upload File or provide Pubchem ID for Input Molecule
Upload Sample File

OR


2Select Model


3Select Sampling


4Select Probability Threshold