Buckets:
| table_name,table_description | |
| molecule,"Stores one record per molecule with a unique text ID, an assessment outcome code, a coded risk classification, and the date it was entered into the catalog. Each molecule undergoes evaluation and receives classification codes based on the assessment protocol." | |
| bond,"Stores one record per chemical bond within a molecule. Each bond_id encodes the molecule and atom pair (TRxxx_A1_A2), linking to the molecule via molecule_id. The bond_type column classifies each bond's order. This table can be used for connectivity analysis by parsing the atom references embedded in bond_id." | |
| connected,"Stores pairwise atom connectivity records, mapping each bond to its two participating atoms through separate atom_id and atom_id2 columns with a corresponding bond_id reference. Each bond appears as two reciprocal rows (one per direction)." | |
| atom_bonds,Normalized molecular connectivity index that stores each bond relationship exactly once in canonical form (source_atom < target_atom). Provides deduplicated connectivity references for standardized bond enumeration and molecular graph analysis. | |
| atom,"This table stores one record per atom, with a unique atom_id, the molecule_id of its parent molecule, and the atom's chemical element." | |
Xet Storage Details
- Size:
- 1.27 kB
- Xet hash:
- 6301ff5a925c5516c5c1fbbe662355923f77adaaba9b6115ed89f922a5419cbf
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