https://www.selleckchem.com/pr....oducts/Methazolaston
Since chemical and structural properties depend strongly on molecular composition, we divided the dataset into four groups corresponding to pure hydrocarbons, oxygen-bearing species, nitrogen-bearing species, and both oxygen- and nitrogen-bearing species, training each type of network with one of these categories, thus creating "experts" within each domain of molecules. We demonstrate how these models can then be used for practical inference on four molecules and discuss both the strengths and shortcomings of our approach and the