Ontology highlight
ABSTRACT:
SUBMITTER: Tebes-Stevens C
PROVIDER: S-EPMC6146973 | biostudies-literature | 2018 Mar
REPOSITORIES: biostudies-literature
Tebes-Stevens Caroline C Patel Jay M JM Koopmans Michaela M Olmstead John J Hilal Said H SH Pope Nick N Weber Eric J EJ Wolfe Kurt K
Chemosphere 20171123
Eight software applications are compared for their performance in estimating the octanol-water partition coefficient (K<sub>ow</sub>), melting point, vapor pressure and water solubility for a dataset of polychlorinated biphenyls, polybrominated diphenyl ethers, polychlorinated dibenzodioxins, and polycyclic aromatic hydrocarbons. The predicted property values are compared against a curated dataset of measured property values compiled from the scientific literature with careful consideration give ...[more]