遇见数据集

Pairwise molecular similarities between DrugBank compounds

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DataCite Commons2020-09-04 更新2024-07-25 收录
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Molecular similarities were calculated between pairs of DrugBank compounds using structures from the DrugBank SDF download. First, a Morgan (circular) fingerprint with radius 2 was calculated for each compound. Dice coefficients were used to quantify fingerprint similarity.

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figshare
创建时间:
2015-05-18
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