The logarithmic n-octanol/water partition coefficient (logK(ow)) is a very important property which concerns water-solubility, bioconcentration factor, toxicity and soil absorption coefficient of organic compounds. Quantitative structure-property relationship (QSPR) model for logK(ow) of 133 polychlorinated biphenyls (PCBs) is analyzed using heuristic method (HM) implemented in CODESSA. In orde...

Leading QSAR models provide supporting documentation in addition to a predicted toxicological value. Such information enables the toxicologist to explore the properties of chemical substances as well as to review and to increase the reliability of toxicity predictions. This article focuses on the use of this information in practice. We explore the supporting documentation provided by the EPISui...

A bioconcentration factor (BCF) estimation model for a wide range of nonionic organic compounds was developed on the basis of molecular connectivity indices and polarity correction factors. The nonlinear topological modeling using polarity correction factors resulted in the best BCF estimation quality for all of the 239 compounds studied, with a mean absolute estimation error of 0.478 log units...

Amphibian eggs spawned in water are exposed immediately to various chemicals present in their water. The present study aimed to investigate the accumulation and pharmacokinetics of 17α-ethynylestradiol (EE(2)), bisphenol A (BPA), and nonylphenol (NP), as well as 17β-estradiol (E(2)), in the pre-hatch and post-hatch embryos of the frog Rana rugosa. Fertilized eggs were exposed to chemicals at a ...

During a decade (1996-2006), ecotoxicological studies were carried out in biota of the Vaccarès Lagoon (Biosphere Reserve in Rhone Delta, France). A multicontamination was shown at all levels of the trophic web due to a direct bioconcentration of chemical from the medium combined with a food transfer. Here, the pollutants investigated were organochlorines, among which many compounds banned or i...