I hope this is the right forum for chemometrics related questions well. Imagine that we have a list of tabulated molecular properties for 40 different molecules such as A) dipole moments B) water solubility C) molecular surface area and so on. Let us just call them A, B, C, D,..., Z.

Now if we have a set of an experimental observable for those 40 compounds called "chromatographic efficiency", N. The value N does not directly depend on A,B,C, D but may be influenced by them. We don't know. By that I mean, there is no chemical theory which relates N with A,B,C,D,... directly.

All the molecular properties A, B, C, D ..., may have a combined effect on N. Is there a test which can show that N is "somewhat" influenced by property B, but not by A and D i.e. something like a correlation test but for multi-variables.

Is there a statistical test which can collectively see the influence of the effect of molecular properties (A, B, C, D,...) on the experimental observable?


  • $\begingroup$ Maybe partial correlation? $\endgroup$ – user2974951 Jul 31 at 6:18
  • 1
    $\begingroup$ Or maybe a regression. $\endgroup$ – Ertxiem Jul 31 at 8:35

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