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ECETOC defines four potency classifications on the basis of EC3 for chemicals tested by dermal exposure (Table 2) (ECETOC, 2008).
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Products not included in the textbook potency classification scheme were evaluated for hormonal content and dose, and assigned to a potency group by the authors (listed in italics in Table 1).
Predictive and validated regression models (2D and 3D QSAR and ligand-based pharmacophore mapping studies) were utilized for estimating the potency whereas classification models (Bayesian and recursive partitioning analyses) were used for determining the selectivity of MMP-2 inhibitors over MMP-9.
Although the animal experiment currently still has to provide the last proof of the toxicological potency and classification of a certain compound, in vitro testing is gaining more and more importance in toxicological considerations.
Intermediate progestin potency from the classification scheme was assigned to the low progestin potency group for this analysis.
Concentration response relationship classification, potency, efficacy, and Hill coefficient were determined for all compounds and used to evaluate cytotoxicity of each compound in the 13 cell types tested.
These authors re-analyzed the data of van't Veer et al. (2002) and showed that multiple similar classifiers may be obtained; they have comparable classification potency as van't Veer's original 70-gene70-genefier but a different gene content.
This threshold is only employed for initial classification; the actual potency threshold changes to satisfy the 95% specificity criterion, as explained in detail in the Supplementary Material.
Interestingly, pacritinib showed the highest potency in French-American-British classification M5 subtypes (THP-1, MV4-11 and MOLM-13), with the FLT3-ITD status further differentiating the last two cell lines from THP-1.
Thus, the information will be useful for compound classification, differentiation, and possibly potency ranking (Schulpen et al. 2014).
With the accumulation of siRNA data, machine learning methods have been developed for both classification and regression analysis of siRNA potency.
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