AWWA WQTC64113

This slide presentation explores the use of Quantitative Structure-Property Relationships (QSPR) as a potential tool to prescreen the removal of emerging contaminants within drinking water treatment. The scope of work included: comprehensive literature review on existing QSPR techniques; evaluation of commercially available QSPR models and software packages; verification of selected QSPR models; laboratory studies to determine descriptor parameters; and, development of a QSPR toolbox using the most viable components identified and evaluated. Topics outlined include: Developing a QSPR Model; Examples of Descriptor Parameters; Example of a Software for Estimating 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.