Partial Order in Environmental Chemistry

Curr Comput Aided Drug Des. 2020;16(3):257-269. doi: 10.2174/1573409915666190416160350.

Abstract

Background: The theory of partial order is a branch of Discrete Mathematics and is often seen as pretty esoteric. However, depending on a suitable definition of an order relation, partial order theory has some statistical flavor. Here we introduce the application of partial order for environmental chemistry.

Objective: We showed that partial order is an instrument, which at the same time, has both data exploration - and evaluation potency.

Methods: The partial order theory was applied in this study. It depends on four indicators which describe the environmental hazards of chemicals.

Results: Nineteen organic chemicals were found within a monitoring study in the German river Main and were taken as an exemplary case. The results indicated that chemicals can have a high risk on the environment, however, the type of risk is different and should not conceptually merge into a single quantity.

Conclusion: Partial order theory is of help to define different regulations and environmental management plans.

Keywords: Partial order; antichain matrix; decision making; descriptors of chemicals behavior; environmental chemicals; graph-theoretical structure; indicators; processoriented mathematical models..

MeSH terms

  • Algorithms
  • Computer Graphics
  • Conservation of Natural Resources
  • Models, Chemical
  • Organic Chemicals / analysis*
  • Rivers / chemistry*
  • Water Pollutants, Chemical / analysis*

Substances

  • Organic Chemicals
  • Water Pollutants, Chemical