SAMPL7 Blind Challenge : Quantum-Mechanical Prediction of Partition Coefficients and Acid Dissociation Constants for Small Drug-like Molecules
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Global minima structures of <em>N</em>-acyl sulfonamides and sulfonamides derivatives (B3LYP-D3/6-311+G(d,p)) in gas phase.
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Zenodo创建时间：
2021-06-18
