from Wiktionary, Creative Commons Attribution/Share-Alike License.

  • noun chemistry The use of mathematical statistics in the design of experiments, and the evaluation of the resulting data.


from Wiktionary, Creative Commons Attribution/Share-Alike License

chemo- +‎ metrics


Help support Wordnik (and make this page ad-free) by adopting the word chemometrics.


  • His research interests are in electroanalytical chemistry and chemometrics and metrology, but he also does a sideline in expert opinion, scientific fraud and presenting science to the public.

    Contributor: Brynn Hibbert 2010

  • The last chapter summarizes the efforts in this thesis and how they address the challenges in molecular chemometrics.

    Archive 2008-03-01 Egon Willighagen 2008

  • There, I will extend my research on effectively combining chemoinformatics sometimes misspelled as cheminformatics ; and chemometrics, as I did in my PhD, which fits well with the development of proteochemotrics methodology and Bioclipse as platform to transform scientific hypotheses into data queries.

    Archive 2008-07-01 Egon Willighagen 2008

  • For today, I organized a small, informal unconference, oriented around the CDK, chemometrics and metabolomics.

    Archive 2008-04-01 Egon Willighagen 2008

  • The availability of a standard set of atomic properties, open source algorithms and open data for example via CMLRSS feeds, it is much easier to reproduce and validate published results in molecular chemometrics.

    Archive 2008-03-01 Egon Willighagen 2008

  • I realized when I went to bed last night, why do I do not like some chemometrics studies... it is those where there is no link the chemical theory.

    "The End of Theory: The Data Deluge Makes the Scientific Method Obsolete" Egon Willighagen 2008

  • It defined:chemblaics is the application of open source software in cheminformatics, chemometrics, proteochemometrics, etc, making experimental results reproducable and validatable.

    Archive 2008-10-01 Egon Willighagen 2008

  • Both chemometrics and chemoinformatics apply statistics, machine learning and informatics methodologies to chemical questions, though originating from a different background.

    Archive 2008-03-01 Egon Willighagen 2008

  • Where chemometrics had its origins in the extraction of information from chemical experiments, chemoinformatics had roots in the representation of chemical data for storage in databases.

    Archive 2008-03-01 Egon Willighagen 2008

  • The term molecular chemometrics is coined in Chapter 2 for the field that applies statistical modeling methods to molecular structure.

    Archive 2008-03-01 Egon Willighagen 2008


Log in or sign up to get involved in the conversation. It's quick and easy.