Cheminformatics Model Datasets (version 1.2)

Dataset catalog: current documentation

The maintained catalog is now Current datasets. It describes all 21 datasets verified on molclass.chemgrid.org on 3 November 2026, including imported counts, target labels, class support, and recorded references.

This page's versioned URL is retained so existing links continue to work. The previous release-specific lists and paper abstracts have been replaced by concise descriptions grounded in the live catalog. Historical content remains in this page's Git history.

Use current dataset IDs from the API, not assumptions based on a legacy batch number. Dataset availability does not imply a published prediction model for every endpoint.

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