Full Description

This slide presentation explores the use of Quantitative Structure-PropertyRelationships (QSPR) as a potential tool to prescreen theremoval of emerging contaminants within drinking watertreatment. The scope of work included: comprehensive literature review on existingQSPR techniques;evaluation of commercially available QSPRmodels and software packages;verification of selected QSPR models; laboratory studies to determine descriptorparameters; and,development of a QSPR toolbox using themost viable components identified andevaluated. Topics outlined include: Developing a QSPR Model; Examples of Descriptor Parameters; Example of a Software forEstimating Descriptor Parameters; Estimating pKa; QSPR Literature Review; Gaps in QSPR Models; Derive Descriptive Parameters; Determined End-Point Treatment Data; and, Determined Molecular Descriptors. Includes table, figures.

Product Details

Edition: Vol. - No. Published: 11/01/2006 Number of Pages: 10 File Size: 1 file , 650 KB