Chemical structures are helpful to plan to classify compounds into their types that will alert them to potential material. The computer software’s e.g., MultiCASE’s M case, Accelrys’s Topcat, or LHASA’s DEREK is available for forecasting the probable toxicity of drug impurities on the basis of it is chemical structure. It is predictive and may not be factual, they will give hint of which one would be confirmed from the toxicity studies. Performing Ames bacterial mutagenicity testing after software provides a structural alert. Results from the Ames test are considered more definitive than the in silico data.
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