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The Present Utility and Future Potential for Medicinal Chemistry of QSAR / QSPR with Whole Molecule Descriptors

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Abstract:

Whole-molecule descriptors are obtained computationally from molecular structures using a variety of programs. Their applications are reviewed in the areas of solubility, bioavailability, bio- and nonbio-degradability and toxicity.

Keywords: QSPR; degradability; quantum chemical

Document Type: Review Article

DOI: http://dx.doi.org/10.2174/1568026023392922

Publication date: December 1, 2002

ben/ctmc/2002/00000002/00000012/art00006
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