Evaluation of log Po/w values of drugs from some molecular structure calculation software

Predictive software packages to estimate the lipophilicity of molecules have become key tools in the new drug design. Six different well-known computational programs including the classical BioByte-clogP and the GALAS algorithm offered by ACDlabs were evaluated through a set of 103 drugs with differ...

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Bibliographic Details
Main Authors: Juan M. Pallicer (Author), Martí Rosés (Author), Clara Ràfols (Author), Elisabeth Bosch (Author), Rosalia Pascual (Author), Adriana Port (Author)
Format: Book
Published: International Association of Physical Chemists (IAPC), 2014-07-01T00:00:00Z.
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3rd Floor Main Library

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