Skip to main content

ChEMBL changelog

v.next​

  • Chembl: Enrichments: Fixed the "Add assay info" and "Add alerts" samples, which named columns ChEMBL does not have (the organism of an assay is assay_organism, and set_name belongs to structural_alert_sets), and added a test that applies every shipped enrichment

37.0.0 (2026-08-31)​

  • Chembl: Replaced the db.datagrok.ai demo database with a package-owned Docker container built on datagrok/demo_db_chembl
  • Chembl: Versioned the package after the ChEMBL release it ships — ChEMBL 37 is 37.0.0

1.4.12 (2026-03-16)​

  • Chembl: Add descriptions to all queries
  • Chembl: Fix validation
  • Chembl: Enrichments: Added samples
  • GROK-19836: UI: Demo: Chem: Database Queries: Structure is cut

1.4.11 (2025-01-06)​

  • Migrated tags to roles
  • Add descriptions to all queries
  • Fix validation

1.4.10 (2025-12-31)​

  • Update db-explorer library version

1.4.7 (2025-12-11)​

  • In place registration of regexp detectors for semantic types in DBExplorer integration

1.4.6 (2025-10-16)​

  • Lazy loaded DBExplorer in Chembl package

1.4.3 (2025-04-01)​

  • Fixed MolregnoInfo panel

1.4.2 (2025-03-31)​

  • Fixed error in demo when result is null

1.4.1 (2025-03-29)​

  • Correct help display in Database Queries demo

1.4.0 (2025-03-29)​

  • Datagrok api >= 1.25.0

1.3.0 (2025-03-25)​

  • Updated chemical databases demo

1.2.3 (2025-03-17)​

  • Showing update indicator in context panel when waiting for request

1.2.2 (2025-01-16)​

  • Fixed 'Compound Names' query

1.2.1 (2024-12-26)​

  • Moved Chemical Databases demo to Chembl package from Chem

1.1.6 (2024-12-06)​

  • Add Search integrated queries

1.1.5 (2024-10-23)​

Remove dual function initialization

1.1.4 (2024-10-03)​

Improve search integrated queries

1.1.3 (2024-09-27)​

PowerSearch features

1.1.2 (2024-09-25)​

Handle missing chembl connection.

1.1.1 (2024-09-25)​

Database explorer for ChEMBL database.

1.0.38 (2024-07-22)​

  • Fixed 'Pattern Similarity With Threshold' query name

1.0.37 (2024-06-12)​

  • Updated datagrok api dependency

1.0.36 (2024-05-07)​

Bug fixes​

  • Return ChemblId instead of molregno in substructure and similarity search

1.0.35 (2023-11-29)​

Features​

  • Added script for converting list of names to smiles