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SAMPL6 blind predictions of water-octanol partition coefficients using nonequilibrium alchemical approaches.

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Title: SAMPL6 blind predictions of water-octanol partition coefficients using nonequilibrium alchemical approaches.
Authors: Procacci, Piero1, procacci@unifi.it, Guarnieri, Guido2
Source: Journal of Computer-Aided Molecular Design; Apr2020, Vol. 34 Issue 4, p371-384, 14p
Database: Applied Science & Technology Source
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  Data: SAMPL6 blind predictions of water-octanol partition coefficients using nonequilibrium alchemical approaches.
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  Data: <searchLink fieldCode="AU" term="%22Procacci%2C+Piero%22">Procacci, Piero</searchLink><relatesTo>1</relatesTo>, <i>procacci@unifi.it</i><br /><searchLink fieldCode="AU" term="%22Guarnieri%2C+Guido%22">Guarnieri, Guido</searchLink><relatesTo>2</relatesTo>
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  Data: <searchLink fieldCode="JN" term="%22Journal+of+Computer-Aided+Molecular+Design%22">Journal of Computer-Aided Molecular Design</searchLink>; Apr2020, Vol. 34 Issue 4, p371-384, 14p
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        Value: 10.1007/s10822-019-00233-9
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      – Code: eng
        Text: English
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        PageCount: 14
        StartPage: 371
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      – TitleFull: SAMPL6 blind predictions of water-octanol partition coefficients using nonequilibrium alchemical approaches.
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            NameFull: Procacci, Piero
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              Text: Apr2020
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              Y: 2020
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