Alan R. Katritzky, Dan C. Fara, Ruslan O. Petrukhin, Douglas B. Tatham, Uko Maran, Andre Lomaka and Mati Karelson Pages 1333 - 1356 ( 24 )
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.
degradability, QSPR, quantum chemical
Center for Heterocyclic Compounds, Department of Chemistry, University of Florida, Gainesville,Florida, 32611, USA