Estimation of the environmental properties of compounds from chromatographic measurements and the solvation parameter model.

摘要: This article provides an overview of chromatographic methods as surrogate models for environmental processes and the determination descriptors compounds interest. The solvation parameter model is link to identification suitable estimation properties using a set tools that allow screening databases selection candidate systems. As alternative approach, many transport distribution interest can be described directly by model. Environmental with known then predicted through these models. central role methods, together liquid-liquid partition coefficients, occupy in six used detailed. There current need accelerate efforts expand coverage process incorporating more complex molecules contemporary For descriptor values are unavailable their should prioritized.