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Asian Journal of Biomedical and Pharmaceutical Sciences | ISSN: 2249-622X | Volume 8
&
Joint Event
Chemistry and Organic Chemistry
Biomedicine & Pharmacotherapy
International Conference on
8
th
World Congress on
October 22-23, 2018 | Frankfurt, Germany
Multivariate polynomial regression for response surface analysis – A new tool for empirical data
discovery
David A Vaccari
Stevens Institute of Technology, USA
A
novel approach is described for empirically modeling
multivariate response surfaces, either timeseries or
nontime series. Potential applications in chemistry include
structure-property
relationships
and
physicochemical
property correlations, among many others. The approach uses
multivariate polynomial regression (MPR) with a step-wise
algorithm to select terms. The approach includes advantages
of multilinear regression such as simplicity and transparency. It
also has the advantages of more complex modeling approaches
such as artificial neural networks (ANNs) in its ability to model
complex response surfaces, including high degree curvilinear
interactions. Furthermore, MPR has advantages over ANNs
in its transparency, tractability, parsimony and resistance to
overfitting. Theseadvantages are illustratedbyanexampleanda
freely-available online tool for fitting these models is described.
Two applications are described. The first is a non-time-series
material property correlation using eight independent variables
to predict the strength of a concrete mixture. The second is a
vector autoregression (VAR) model to describe tungsten flow in
the U.S. economy.
Speaker Biography
David Vaccari is a professor of environmental engineering at Stevens Institute of
Technology in Hoboken, NJ. He has a masters and PhD in environmental science and a
master’sinchemicalengineering,allfromRutgersUniversity.Originallyfocusedonwaste
water treatment andwater pollution, he now specializes inmodeling global phosphorus
resource flows and in nonlinear statistical modeling in general. The specialization
in phosphorus grew from involvement in planning bioregenerative life support for
long-term space missions for NASA, from research for a textbook in Environmental
Biology published by John Wiley, and from work on models of phosphorus pollution
in streams. He is a licensed professional engineer, a Board-Certified Environmental
Engineer, and is listed in the Who’s Who in Environmental Engineering and Science.
e:
dvaccari@stevens.eduDavid A Vaccari, Chemistry and Biomedicine 2018, Volume 8
DOI: 10.4066/2249-622X-C4-012