https://phys.org/news/2018-07-team-artificial-neural-networks-properties.html > One way to do this is to generate a set of molecule parameters (descriptors) and build a mathematical model based on these inputs. The model can turn out quite accurate, but it may be difficult to interpret due to a great number of parameters. And worse still, the model may not work properly for compounds differing strongly from those in the training set. > The second method is based on the molecular theory of liquids that describes the behavior of substances in solutions. However, bioconcentration is a complex parameter that depends on a variety of factors, so it can hardly be predicted by directly applying physicochemical theory.