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The present publication describes an integrative grouping concept to derive threshold values for inhalation exposure. The classification scheme starts with differences in toxicological potency and develops criteria to group compounds into two potency classes, namely toxic (T-group) or low toxic (L-group).The TTC concept for inhalation exposure is based on the TTC RepDose data set, consisting of 296...
Group contribution methods to estimate water solubility have been studied on the basis of a test set of 694 organic nonelectrolytes, consisting of 351 liquids and 343 solids with experimental data taken from literature after critical evaluation. Derivation of a new fragmentation scheme leads to a squared correlation coefficient of 0.95 and an average absolute calculation error of 0.38 log units,...
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