We benchmark on the community-standard Dalke NN dataset (1,000 high-similarity ChEMBL pairs) — the same dataset widely used by RDKit, CDK, and the academic MCS literature. Identical SMILES input, same ...
ATP-binding cassette (ABC) proteins play important roles in a wide variety of species. These proteins are involved in absorbing nutrients, exporting toxic substances, and regulating potassium channels ...
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