遇见数据集

Docking scores for suitable candidates from top 100

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Figshare2018-03-21 更新2026-04-08 收录
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All docking scores (Fred ChemGauss4) for those compounds examined from the top 100 matches for candidate ligands.<br><br>Some compounds were excluded based on general incompatibility (i.e. non-druglikeness)<br>

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2018-03-21
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