Safety profiles predictive secondary pharmacology

For small molecules, most prospective (aka predictive ) models are used to identify potential chemical structure-mediated, off-target effects so that chemists can design away from unwanted features and chose the candidate with the overall best profile. The application of prospective models largely encompasses the evaluation of (i) selectivity/promis-cuity, (ii) secondary and safety pharmacology, (iii) intrinsic cytotoxicity, (iv) ADME-based drivers of toxicity, and (v) genotoxidty. This core profiling battery is based on drivers... 

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