SAMPL7 blind challenge: quantum–mechanical prediction of partition coefficients and acid dissociation constants for small drug-like molecules.
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| Title: | SAMPL7 blind challenge: quantum–mechanical prediction of partition coefficients and acid dissociation constants for small drug-like molecules. |
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| Authors: | Fındık, Basak Koca1, Haslak, Zeynep Pinar1, Arslan, Evrim1, Aviyente, Viktorya1, aviye@boun.edu.tr |
| Source: | Journal of Computer-Aided Molecular Design; Jul2021, Vol. 35 Issue 7, p841-851, 11p |
| Database: | Applied Science & Technology Source |
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| ISSN: | 0920654X |
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| DOI: | 10.1007/s10822-021-00402-9 |
