Q-raKtion: A Semiautomated KNIME Workflow for Bioactivity Data Points Curation.

ABSTRACT: The recent increase of bioactivity data freely available to the scientific community and stored as activity data points in chemogenomic repositories provides a huge amount of ready-to-use information to support the development of predictive models. However, the benefits provided by the availability of such a vast amount of accessible information are strongly counteracted by the lack of uniformity and consistency of data from multiple sources, requiring a process of integration and harmonization. While different automated pipelines for processing and assessing chemical data have emerged in the last years, the curation of bioactivity data points is a less investigated topic, with useful concepts provided but no tangible tools available. In this context, the present work represents a first st

SUBMITTER: Palazzotti D 

PROVIDER: S-EPMC9795488 | biostudies-literature | 2022 Dec

REPOSITORIES: biostudies-literature