Direct QSPR: the most efficient way of predicting organic carbon/water partition coefficient (log KOC) for polyhalogenated POPs

Karolina Jagiełło , Anita Sosnowska , Sharnek Walker , Maciej Harańczyk , Agnieszka Gajewicz , Toru Kawai , Noriyuki Suzuki , Jerzy Leszczynski , Tomasz Puzyn

Abstract

n/a
Author Karolina Jagiełło (FCh / DEChR / LECh)
Karolina Jagiełło,,
- Laboratory of Environmental Chemometrics
, Anita Sosnowska (FCh / DEChR / LECh)
Anita Sosnowska,,
- Laboratory of Environmental Chemometrics
, Sharnek Walker
Sharnek Walker,,
-
, Maciej Harańczyk
Maciej Harańczyk,,
-
, Agnieszka Gajewicz (FCh / DEChR / LECh)
Agnieszka Gajewicz,,
- Laboratory of Environmental Chemometrics
, Toru Kawai
Toru Kawai,,
-
, Noriyuki Suzuki
Noriyuki Suzuki,,
-
, Jerzy Leszczynski
Jerzy Leszczynski,,
-
, Tomasz Puzyn (FCh / DEChR / LECh)
Tomasz Puzyn,,
- Laboratory of Environmental Chemometrics
Journal seriesStructural Chemistry, ISSN 1040-0400, (A 25 pkt)
Issue year2014
Vol25
No3
Pages997-1004
Keywords in EnglishPersistent Organic Pollutants, organic carbon/water partition coefficient, QSPR, quantum-mechanical descriptors
DOIDOI:10.1007/s11224-014-0419-1
URL http://link.springer.com/content/pdf/10.1007%2Fs11224-014-0419-1.pdf
Languageen angielski
LicenseOther; published final; Uznanie Autorstwa (CC-BY); with publication
Score (nominal)25
ScoreMinisterial score = 25.0, 20-12-2017, ArticleFromJournal
Ministerial score (2013-2016) = 25.0, 20-12-2017, ArticleFromJournal
Publication indicators WoS Impact Factor: 2014 = 1.837 (2) - 2014=1.596 (5)
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