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...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
International Association of Physical Chemists (IAPC)
2014-07-01
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| Series: | ADMET and DMPK |
| Online Access: | http://pub.iapchem.org/ojs/index.php/admet/article/view/45 |