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Bookmarks & History

ChemAudit lets you bookmark validation results for later reference and automatically tracks every validation in an audit trail. Both features are session-scoped for privacy and support GDPR-compliant data erasure.

Bookmarks​

Bookmarks save a snapshot of a molecule's validation results so you can return to them later without re-validating.

Creating a Bookmark​

After validating a molecule on the Single Validation page, click the Bookmark button (star icon) in the results header. A confirmation toast appears and the star fills to indicate the molecule is saved.

The bookmark automatically captures:

  • SMILES string
  • Molecule name (if available)
  • InChIKey (computed from SMILES)
  • Tags and notes (editable)
  • Source context (e.g., single_validation or batch)
  • Full result snapshot stored locally in the browser

Bookmarks Page​

Navigate to /bookmarks to manage your saved molecules.

Search and Filter:

  • Search by SMILES substring using the search bar
  • Filter by tag using the tag chips displayed above the table
  • Filter by source (single validation, batch)

Table Columns:

ColumnDescription
MoleculeName + truncated SMILES (click chevron to expand full SMILES + notes)
InChIKeyFirst 14 characters for quick identification
TagsUp to 3 visible tags with "+N more" indicator
ActionsView (opens in validation) and Delete

A "Results saved" badge appears on rows that have a locally cached result snapshot.

Managing Bookmarks​

Edit tags and notes: Click a bookmark to expand it, then modify tags or notes.

Delete: Click the trash icon on individual bookmarks, or select multiple and use Delete Selected in the bulk action bar.

Bulk actions: Select bookmarks using checkboxes, then use the floating action bar:

  • Submit as Batch — creates a new batch job from selected bookmarks
  • Delete Selected — removes all selected bookmarks
  • Clear — deselects all

Submit Bookmarks as Batch​

Select one or more bookmarks and click Submit as Batch. ChemAudit creates a new batch job containing those molecules and redirects you to the batch results page.

API Reference​

# List bookmarks (paginated, with optional filters)
curl "http://localhost:8001/api/v1/bookmarks?page=1&page_size=50&tag=kinase&search=CCO"

# Create a bookmark
curl -X POST http://localhost:8001/api/v1/bookmarks \
  -H "Content-Type: application/json" \
  -d '{
    "smiles": "CC(=O)Oc1ccccc1C(=O)O",
    "name": "Aspirin",
    "tags": ["analgesic", "nsaid"],
    "notes": "Good validation score",
    "source": "single_validation"
  }'

# Update bookmark tags/notes
curl -X PUT http://localhost:8001/api/v1/bookmarks/42 \
  -H "Content-Type: application/json" \
  -d '{
    "tags": ["analgesic", "nsaid", "approved"],
    "notes": "Updated notes"
  }'

# Delete a single bookmark
curl -X DELETE http://localhost:8001/api/v1/bookmarks/42

# Bulk delete bookmarks
curl -X DELETE "http://localhost:8001/api/v1/bookmarks/bulk?ids=1&ids=2&ids=3"

# Submit bookmarks as a batch job
curl -X POST http://localhost:8001/api/v1/bookmarks/batch-submit \
  -H "Content-Type: application/json" \
  -d '{"bookmark_ids": [1, 2, 3, 4, 5]}'

Bookmark creation response:

{
  "id": 42,
  "smiles": "CC(=O)Oc1ccccc1C(=O)O",
  "name": "Aspirin",
  "inchikey": "BSYNRYMUTXBXSQ-UHFFFAOYSA-N",
  "tags": ["analgesic", "nsaid"],
  "notes": "Good validation score",
  "source": "single_validation",
  "job_id": null,
  "created_at": "2026-02-26T10:30:00Z"
}

Batch submit response:

{
  "job_id": "550e8400-e29b-41d4-a716-446655440000",
  "molecule_count": 5,
  "message": "Job submitted. Processing 5 molecules."
}

Validation History​

Every validation — single or batch — is recorded in an immutable audit trail. This provides a complete record of what was validated, when, and the outcome.

What Gets Logged​

Each audit entry captures:

FieldDescription
SMILESThe validated molecule
InChIKeyComputed identifier
Outcomepass, warn, or fail
ScoreValidation score (0–100)
Sourcesingle or batch
Job IDBatch job ID (for batch validations)
TimestampWhen the validation occurred
Immutable Audit Trail

History entries are append-only. Individual entries cannot be edited or deleted — only a full session purge removes them.

History Page​

Navigate to /history to browse your validation history.

Statistics Grid:

The top of the page shows summary cards:

  • Total Validations — total count across all sessions
  • Passed — validations with pass outcome (green)
  • Warnings — validations with warn outcome (amber)
  • Failed — validations with fail outcome (red)

Filtering:

FilterDescription
Date RangeFrom/To date pickers
Outcomepass, warn, or fail
Sourcesingle or batch
SMILES SearchSubstring match on SMILES

Click Apply Filters to update results or Reset to clear all filters.

Results Table:

Results are paginated (25 per page, newest first) with columns:

ColumnDescription
DateValidation timestamp
SMILESTruncated SMILES string
OutcomeColor-coded badge (green/amber/red)
ScoreColor-coded score (green ≥70, amber ≥40, red below 40)
Sourcesingle or batch badge
Job IDTruncated batch job ID (if applicable)

API Reference​

# Get paginated history with filters
curl "http://localhost:8001/api/v1/history?page=1&page_size=50&outcome=pass&source=single&date_from=2026-02-01T00:00:00Z&date_to=2026-02-28T23:59:59Z"

# Get summary statistics
curl http://localhost:8001/api/v1/history/stats

History response:

{
  "entries": [
    {
      "id": 1,
      "smiles": "CC(=O)Oc1ccccc1C(=O)O",
      "inchikey": "BSYNRYMUTXBXSQ-UHFFFAOYSA-N",
      "outcome": "pass",
      "score": 95,
      "job_id": null,
      "source": "single",
      "created_at": "2026-02-26T10:30:00Z"
    }
  ],
  "total": 150,
  "page": 1,
  "page_size": 50
}

Statistics response:

{
  "total_validations": 150,
  "outcome_distribution": {"pass": 120, "warn": 20, "fail": 10},
  "source_distribution": {"single": 80, "batch": 70}
}

Session Scope​

Bookmarks and history are isolated per user:

  • Anonymous users: Data is scoped to a session cookie (chemaudit_sid), which lasts 30 days
  • API key users: Data is scoped to the API key hash (SHA-256)
  • Database-level isolation: PostgreSQL Row-Level Security ensures users can only access their own data

API key-scoped data takes precedence when both a session cookie and API key are present.

Data Retention & Privacy​

Auto-Purge​

Anonymous session data is automatically purged after 30 days of inactivity via a scheduled Celery Beat task. API key-scoped data is not auto-purged.

GDPR Erasure​

The Privacy page includes a "Purge My Data" button that immediately deletes all your data:

# Delete all bookmarks and history for current session
curl -X DELETE http://localhost:8001/api/v1/me/data

Response:

{
  "status": "purged",
  "deleted": {
    "bookmarks": 42,
    "history": 150
  }
}

This removes:

  • All bookmarks (server-side database records)
  • All validation history entries
  • Locally cached result snapshots (IndexedDB cleared in the browser)
Irreversible

Data purge is permanent and cannot be undone. Make sure to export any data you need before purging.

Next Steps​