Mapping the Otoactive Landscape: An LLM-Aided Extraction of Compounds and Their Targets
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SDF file containing the structures and annotations for the automatically generated database of otoactive compounds. The annotated fields are the following: Structure - 2D structure retrieved from PubChem PubChem_CID - PubChem Compound ID name: compound name Iupac_name References: PubMed IDs for the records mentioning the compound as otoactive or otoprotective score: calculated ototoxic score positive for ototoxic and negative for otoprotective. The rest are PUBCHEM metrics such as XlogP3, Total Charge, Exact Mass, etc.
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Zenodo创建时间：
2026-03-17
