Kinome-wide activity modeling from diverse public high-quality data sets.

ABSTRACT: Large corpora of kinase small molecule inhibitor data are accessible to public sector research from thousands of journal article and patent publications. These data have been generated employing a wide variety of assay methodologies and experimental procedures by numerous laboratories. Here we ask the question how applicable these heterogeneous data sets are to predict kinase activities and which characteristics of the data sets contribute to their utility. We accessed almost 500,000 molecules from the Kinase Knowledge Base (KKB) and after rigorous aggregation and standardization generated over 180 distinct data sets covering all major groups of the human kinome. To assess the value of the data sets, we generated hundreds of classification and regression models. Their rigorous cross-valida

SUBMITTER: Schurer SC 

PROVIDER: S-EPMC3569091 | biostudies-literature | 2013 Jan

REPOSITORIES: biostudies-literature