SAMPL7 Blind Challenge Quantum-Mechanical Prediction of Partition Coefficients and Acid Dissociation Constants for Small Drug-like Molecules
| Main Authors: | Koca Fındık, Basak, Haslak, Zeynep Pinar, Arslan,Evrim, Aviyente, Viktorya |
|---|---|
| Format: | info dataset Journal |
| Terbitan: |
, 2021
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| Online Access: |
https://zenodo.org/record/4913118 |
Daftar Isi:
- Global minima structures of N-acyl sulfonamides and sulfonamides derivatives (B3LYP-D3/6-311+G(d,p)) in gas phase.