Quantitative SAR QSAR analysis in the safety assessment of constituents

9 Quantitative SAR (QSAR) analysis in the safety assessment of constituents 

Por transparency and reproducibility, the mles and assumptions used during analog selection should be clearly defined, both for manual analog searches and when substructure/similarity software is used. Usually, decisions to include or omit potential analogs are specific to the context of the relative wealth of candidates and their data. 

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