task_categories:tabular-regression task_categories:feature-extraction task_categories:other task_ids:tabular-single-column-regression annotations_creators:crowdsourced source_datasets:pubchem-compound source_datasets:pubchem-04-18-2025 license:pddl arxiv:2603.13627 doi:10.57967/hf/8495 region:us pubchem small-molecules InChI SMILES molecular-geometry molecular-properties chemical-properties cheminformatics