Welcome to compound_target_pairs_dataset’s documentation!

Contents:

• Introduction
  • Dataset Documentation
  • User Guide
  • Code Documentation
• Columns in the Final Dataset
  • Initial Query
  • Aggregated Values
  • DTI (Drug-Target Interaction) Annotations
  • Compound and Target Properties Based on ChEMBL Data
  • Ligand Efficiency Metrics
  • RDKit-Based Compound Descriptors
  • Annotations for Filtering
• User Guide
  • Arguments
  • Accessing ChEMBL
• src
  • add_chembl_compound_properties module
  • add_chembl_target_class_annotations module
  • add_dti_annotations module
  • add_filtering_columns module
  • add_rdkit_compound_descriptors module
  • arguments module
  • clean_dataset module
  • dataset module
  • get_activity_ct_pairs module
  • get_dataset module
  • get_drug_mechanism_ct_pairs module
  • get_stats module
  • main module
  • output module
  • sanity_checks module

Indices and tables

• Index

• Module Index

• Search Page