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Calculation of molecular lipophilicity: State-of-the …
Calculation of molecular lipophilicity : State-of-the -Artand Comparison of LogPMethods on More Than96,000 CompoundsRAIMUND MANNHOLD,1 GENNADIY I. PODA,2 CLAUDE OSTERMANN,3 IGOR V. TETKO4,51 molecular Drug Research Group, Heinrich-Heine-Universita t, Universita tsstra e 1, D-40225 Du sseldorf, Germany2 Pfizer Global R & D, 700 Chesterfield Parkway West, Mail Zone BB2C, Chesterfield, Missouri 630173 Nycomed GmbH, Byk-Gulden-Str. 2, D-78467 Konstanz, Germany4 Helmholtz Zentrum Mu nchen German Research Center for Environmental Health (GmbH),Institute of Bioinformatics and Systems Biology Ingolsta dter Landstra e 1, Neuherberg D-85764, Germany5 Institute of Bioorganic & Petrochemistry, Ukrainian National Academy of Sciences, UA-02660 Kyiv, UkraineReceived 12 June 2007; revised 2 June 2008; accepted 4 June 2008 Published online 6 August 2008 in Wiley InterScience ( ).
Calculation of Molecular Lipophilicity: State-of-the-Art and Comparison of LogP Methods on More Than 96,000 Compounds RAIMUND MANNHOLD,1 GENNADIY I. PODA,2 CLAUDE OSTERMANN,3 IGOR V. TETKO4,5 1Molecular Drug Research Group, Heinrich-Heine-Universita¨t, Universita¨tsstraße 1, D-40225 Du¨sseldorf, Germany …
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