Sandiegouniontribune.com covers local news in San Diego County, CA, California and national news, sports, things to do and the best places to eat, business and the San Diego housing market.

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 ...

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