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Property prediction · Cheminformatics

CatPred

Predict kcat, Km, or Ki for an enzyme and substrate, with an uncertainty estimate.

Runs CatPred, which combines a pretrained protein language model with a molecular representation of the substrate and predicts a distribution rather than a point value, so each prediction carries a variance that tracks how far the query sits from the training data.

Input

Configure a small job

POST
For a Ki prediction this is the inhibitor rather than the substrate.
For example 2.7.1.1. Used as a feature where the model has one.
For example Escherichia coli.
Ready
Response

JSON result

{
  "status": "Ready for a request"
}