遇见数据集

Food Vector P23H Rhodopsin Screening Dataset, v1.0

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Zenodo2026-04-28 更新2026-05-26 收录
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This dataset contains compound-by-compound screening results from the Food Vector v1.0 platform applied to the P23H rhodopsin mutation associated with autosomal dominant retinitis pigmentosa. Contents:- Per-compound Hamiltonian DIFF cosine similarity scores against the wild-type rhodopsin pocket- Per-element spectral-fragment scores (carbon, nitrogen, oxygen, sulfur)- AutoDock Vina docking energies for the top-ranked subset- Decoy-shift p-values computed against control protein pockets- Sharpness (curve_sharp) and size-ratio metrics for each match- Experimental follow-up status flags for lead candidates advanced to cell-based chaperone assays Each row represents one compound from the indexed library of 10,000+ food-derived molecules drawn from FooDB, PubChem, and HMDB. The accompanying README documents column definitions, scoring formulae, and the protocol used to generate decoy-shift baselines. This dataset is the primary evidence supporting the advancement of lead candidates to chaperone-rescue assays for misfolded P23H rhodopsin. It is intended to support reproducibility of the screening methodology and to e]

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Zenodo
创建时间:
2026-04-28
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