sources/header.md

Predict the MIC of compounds against pathogenic bacteria

Predictions are from an AI model trained on the wild-type accumulator subset of the SPARK dataset, available to browse here.

Predictions are given in micromolar (µM) and µg/mL. You can optionally have uncertainty scores calculated.

This model was generated using our Duvida framework, as a result of hyperparameter searches and selecting the model that performs best on unseen test data (from a scaffold split). Duvida also allows the calculation of uncertainty metrics based on training data.

Available species for prediction are:

• Klebsiella pneumoniae

More to come in the next week!