chemometrics

https://doi.org/10.1351/goldbook.CT06948
Chemometrics is the application of statistics to the analysis of chemical data (from organic, analytical or medicinal chemistry) and design of chemical experiments and simulations.
Source:
PAC, 1997, 69, 1137. (Glossary of terms used in computational drug design (IUPAC Recommendations 1997)) on page 1140 [Terms] [Paper]