遇见数据集

chemical descriptors array (CDA)

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Zenodo2024-08-22 更新2026-05-26 收录
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Three-dimensional molecular descriptors were calculated utilizing alvaDesc, a software that computes model-based physicochemical properties of molecules, such as topological polar surface area (TPSA), molar refractivity, and pharmacophore descriptors, which are related to the chemical properties of compounds.

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Zenodo
创建时间:
2024-08-22
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