What are the main differences between the computational chemistry and the
Chemometrics
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computational chemistry
Computational chemistry is a branch ofchemistry that uses computer simulation to assist in solving chemical problems. It uses methods of theoretical chemistry, incorporated into efficient computer programs, to calculate the structures and properties of molecules and solids.
chemometrics
Chemometrics is the use of mathematical and statistical methods to improve the understanding of chemical information and to correlate quality parameters or physical properties to analytical instrument data.
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