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Consider the words "man", "woman", "boy", and "girl". Two of them refer to males, and two to females. Also, two of them refer to adults, and two to children. We can ...
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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 ...