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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.
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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Header DbId: aci
DbLabel: Applied Science & Technology Source
An: 151508575
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PubType: Academic Journal
PubTypeId: academicJournal
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  Data: SAMPL7 blind challenge: quantum–mechanical prediction of partition coefficients and acid dissociation constants for small drug-like molecules.
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RecordInfo BibRecord:
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      – Type: doi
        Value: 10.1007/s10822-021-00402-9
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      – Code: eng
        Text: English
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        PageCount: 11
        StartPage: 841
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      – TitleFull: SAMPL7 blind challenge: quantum–mechanical prediction of partition coefficients and acid dissociation constants for small drug-like molecules.
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            NameFull: Fındık, Basak Koca
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            NameFull: Haslak, Zeynep Pinar
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            NameFull: Arslan, Evrim
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            – D: 01
              M: 07
              Text: Jul2021
              Type: published
              Y: 2021
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              Value: 0920654X
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              Value: 35
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              Value: 7
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            – TitleFull: Journal of Computer-Aided Molecular Design
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