Abstract: Although the literature is replete with QSAR models developed for many toxic effects caused by
reversible chemical interactions, the development of QSARs for the toxic effects of reactive
chemicals lacks a consistent approach. While limitations exit, an appropriate starting-point
for modeling reactive toxicity is the applicability of the general rules of ...
Abstract: Using abiotic thiol reactivity (EC50) and Tetrahymena pyriformis toxicity (IGC50) data for a group of halo-substituted ketones, esters and amides (i.e. SN2 electrophiles) and related compounds a series of structure-activity relationships are illustrated. Only the alpha-halo-carbonyl-containing compounds are observed to be thiol reactive with the order I > Br ...
Abstract: This paper presents the results of an analysis of the rodent inhalation literature
and the development of a quantitative structure–activity relationships (QSAR)
model for 4-hour LC50 as baseline toxicity to complement the baseline toxicity
model for aquatic animals. We used the same literature review criteria developed
for the ECOTOX database which selects ...