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

Volume: 2, Issue: 2
Published: Jul 18, 2014
Abstract
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 different structures and functionalities. To evaluate the predictions accuracy, reliable experimental logPo/w values for the whole testing set were...
Paper Details
Title
Evaluation of log Po/w values of drugs from some molecular structure calculation softwares
Published Date
Jul 18, 2014
Volume
2
Issue
2
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