Team develops new generation of artificial neural networks able to predict properties of organic compounds
Tuesday, July 17, 2018 - 05:10
in Physics & Chemistry
Scientists from Russia, Estonia and the United Kingdom have created a new method for predicting the bioconcentration factor (BCF) of organic molecules. Leveraging the classical models of physicochemical interactions between the solvent and the solute and advanced machine learning methods, the new approach makes it possible to predict complex properties of a substance based on a minimum set of input data. The results of the study were published in Journal of Physics: Condensed Matter.