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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Main Authors: | Juan M. Pallicer (Author), Martí Rosés (Author), Clara Ràfols (Author), Elisabeth Bosch (Author), Rosalia Pascual (Author), Adriana Port (Author) |
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Format: | Book |
Published: |
International Association of Physical Chemists (IAPC),
2014-07-01T00:00:00Z.
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Online Access: | Connect to this object online. |
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