chemometrics
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che·mo·met·rics | \ ˌkē-mō-ˈme-triks also ˌke- 
\
\Definition of chemometrics
: the application of statistics to the field of chemical analysis
The system doesn't directly measure boiling points and other physical properties; rather, it used chemometrics to infer them from the process stream's chemical composition. — Chemical & Engineering News
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