遇见数据集

To demonstrate the diversity of the compounds generated, fifty azides and fifty alkynes were selected at random and reacted in silico using AutoClickChem.

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Figshare2015-12-02 更新2026-04-29 收录
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“logP” refers to the estimated partition coefficient, “PSA” refers to the polar surface area, and “MR” refers to the molar refractivity.

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2015-12-02
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