A comprehensive model for chemical bioavailability and toxicity of organic chemicals based on first principles

@EddieHonorato @LatinXChem In consequence, the molecules bioaccumulate. Then, bioaccumulation produces that one molecule is toxic. You can see more in the follow work that we took as reference https://t.co/cOluDYhzOp

@StevenLopez_neu @LatinXChem Well, when one molecule has a large gap HOMO-LUMO is less reactive, as the hardness predicts. In consequence, the compound is stabilized by tight binding and becomes more difficult to be metabolized then, bioaccumulation takes

Check out the latest #OA publication in our section on #Marine Pollution by Forrest et al. http://t.co/sGuzztgmUx

Check out the latest #OA publication in our section on #Marine Pollution by Forrest et al. http://t.co/sGuzztgmUx