Add ADME descriptors to the pipeline

ersilia-os / pharmacogx-embeddings

Pharmacogenomics knowledge graph embeddings and related analyses

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Add ADME descriptors to the pipeline #24

Closed miquelduranfrigola closed 3 months ago

miquelduranfrigola commented 6 months ago

Use Ersilia Model Hub model eos7d58 to calculate descriptors for all drugs. Normalization based on DrugBank data is already available, so these descriptors could in principle be use "as is".

miquelduranfrigola commented 3 months ago

This has already been done in round 2 of predictions.