AstraZeneca Researchers Publish New Studies and Findings in the Area of Drug Targets (An industrial evaluation of proteochemometric modelling: Predicting drug-target affinities for kinases).

AstraZeneca researchers have published a study evaluating the performance of a proteochemometric (PCM) model in predicting drug-target affinities for kinases. The study found that while the PCM model achieved good results on public benchmarking datasets, its performance was impaired when tested on proprietary data. The researchers hypothesize that this discrepancy may be due to a shift in the chemical space observed over time in an industrial setting. Overall, the study suggests that the PCM model does not provide significant benefits over less complex models as a virtual screening tool for kinase inhibitors in an industrial setting. [Extracted from the article]