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MOESM3 of PubChem chemical structure standardization

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Figshare2018-08-11 更新2026-04-29 收录
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Additional file 3. Valence Bond Canonicalization Limitlist. List of 1746 structures as SMILES that are subject to a limited processing during valence bond canonicalization (2500 instead of 250,000 enumerated tautomers).

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2018-08-11
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