Database Schema Structure

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# Database Schema Structure

The database schema is defined in [db/schema.sql](mdc:db/schema.sql) and consists of two main schemas:

## MolTrack Schema (`moltrack`)
Core tables for managing chemical compounds and their properties:

1. **Compounds Management**
   - `compounds`: Stores unique chemical structures with SMILES, InChI, and InChIKey
   - `batches`: Physical samples of compounds with amount, purity, and expiry info
   - `batch_details`: User-defined properties for specific batches

2. **Properties System**
   - `semantic_types`: Defines categories of properties (Molecule, Cell, etc.)
   - `properties`: Defines calculated, measured, or predicted properties

3. **Assay System**
   - `assay_types`: Defines types of assays and their required properties
   - `assay_type_properties`: Links properties to assay types
   - `assays`: Individual experiments measuring properties
   - `assay_properties`: Properties measured in specific assays
   - `assay_results`: Actual measurement results

## RDKit Schema (`rdk`)
Maintains chemical structure data in RDKit format:
- `mols`: Contains molecules in RDKit's native format
- Automatically synchronized with `moltrack.compounds` via triggers