Aryl Hydrocarbon Receptor Activation [Draft]

Aryl Hydrocarbon Receptor Activation

Data: The Target ID (CHEMBL3201) is assigned to Aryl Hydrocarbon Receptor (AHR) activation, so we collected all data related to this endpoint. To define a binary classification suitable for our purposes, we considered the category comments provided in the database and pChEMBL, a standardized logarithmic transformation of activity values (e.g., IC50, EC50, Ki, Kd, etc.), which facilitates the comparison of different types of bioactivity data. Data marked as inconclusive or with a validity comment of 'not outside typical range' were discarded. Initially, we downloaded 1,071 entries, and after data curation, 347 chemicals were retained in our database. For compounds without a predefined category, we classified chemicals with a pChEMBL > 0.5 as active.

Endpoint: Binary endpoint: {0:inactive, 1:active}