遇见数据集

Summary of physico-chemical properties (often used to predict ‘drug-likeness’) of the compounds within the p-ANAPL library.

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NIAID Data Ecosystem2026-03-08 收录
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aLibrary; bNumber of tautomers; cMolecular weight; dLogarithm of n-octanol/water partition coefficient; eNumber of hydrogen bond acceptors; fNumber of hydrogen bond donors; gNumber of rotatable single bonds; hMaximum number; iMinimum number; jMean value; kThe “drug-like” library was selected following Lipinski’s criteria [44]–[45]; lThe “lead-like” library was selected following Oprea’s criteria [46]–[48]; mThe “fragment-like” library was selected following Verdonk’s criteria [50].

创建时间:
2014-03-05
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