Published June 17, 2021
| Version v1
Dataset
Open
SAMPL7 Blind Challenge : Quantum-Mechanical Prediction of Partition Coefficients and Acid Dissociation Constants for Small Drug-like Molecules
Authors/Creators
- 1. Bogazici University
Description
Global minima structures of N-acyl sulfonamides and sulfonamides derivatives (B3LYP-D3/6-311+G(d,p)) in gas phase.
Files
Files
(30.8 MB)
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