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@chupvl
Created November 4, 2021 17:21
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chembl sqlite query to get all useful info
select
activities.*,
assays.assay_id,
assays.doc_id,
assays.description,
assays.assay_type,
assays.assay_test_type,
assays.assay_organism,
assays.assay_tax_id,
assays.assay_strain,
assays.assay_tissue,
assays.assay_cell_type,
assays.assay_subcellular_fraction,
assays.tid,
assays.relationship_type,
assays.confidence_score,
assays.chembl_id as assay_chembl_id,
molecule_dictionary.chembl_id,
molecule_dictionary.molregno,
molecule_dictionary.pref_name,
molecule_dictionary.chembl_id,
molecule_dictionary.structure_type,
molecule_dictionary.molecule_type,
compound_structures.canonical_smiles,
target_dictionary.chembl_id as target_chembl_id,
target_dictionary.organism,
target_dictionary.target_type,
target_dictionary.pref_name,
target_dictionary.tid,
target_dictionary.organism,
target_dictionary.organism,
docs.doc_id,
docs.journal,
docs.year,
docs.doi,
docs.chembl_id,
docs.doc_type
from activities, assays, molecule_dictionary, compound_structures, target_dictionary, docs
where compound_structures.molregno = molecule_dictionary.molregno
and molecule_dictionary.molregno = activities.molregno
and assays.tid = target_dictionary.tid and assays.assay_id = activities.assay_id ;
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