Download Ten years research and the art of Chemometrics

Chemometrics
Zanjan-2003
The ICS definition of
Chemometrics
Chemometrics is the science of relating
measurements made on a chemical system
or process to the state of the system via
application of statistical or mathematical
methods.
Mathematic
Computers
Chemistry
Statistic
Chemometrics
Pattern recognition
Optimization
QSAR
Signal processing
Experimental design
Chemometrics
Sample preparation
Analysis
Result production
& interpretation
Chemometrics deals with the sampling (strategies),
the procedure itself ( the optimal way an analytical
procedure can be performed) and the interpretation
of results.
QSAR
Compounds + biological activity
QSAR
New compounds with
improved biological activity
QSAR
Use of self training artificial
neural networks in modeling
of gas chromatographic
relative retention times of a
variety of organic compounds
Recent QSPR
&
QSAR Studies
2002
Prediction of relative response
factors for flame ionization and
phtoionization detection using
STANN
Prediction of electrophoretic
mobilitiesof alkyl-and alkenylpyrines
in capillary electrophoresis using
ANN
Use of Quantitative Structure-Property
Relationships in predicting the Krafft
point of anionic surfactants
Recent QSPR
&
QSAR Studies
Prediction of bioconcentration factor
using genetic algorithm and artificial
neural network
2003
Prediction of relative response factors of
Electron capture detection for some
polychlorinated biphenyls using
chemometrics
The “art“ of
Chemometrics
What is difficult in doing chemometrics is
how to determine if a particular technique
is appropriate for a given problem and
how to properly interpret the results
provided by that technique. This is what is
called the “ art “ of chemometrics
Teaching of chemometrics
Despite the strong interests in chemometrics
by analytical and other chemists, courses in
this field remain fairly unknown.
Teaching
of chemometrics to analytical
chemists or whomever, probably remains the
rate-limiting step in the advancement of the
field.
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Dr. M. H. Fatemi
Dr. F. Parastar
Dr. E. Konouz
Dr. I. Sheikshoaie
Dr. M. Namazian
Dr. Z. Garakani-Nejad
Mr. M. Mousavi
Mr. M. Saadi
Mr. S. Maesum
Miss M. Vosough
Mr. P. Shahbazikhah