STarFish: A Stacked Ensemble Target Fishing Approach and its Application to Natural Products.

ABSTRACT: Target fishing is the process of identifying the protein target of a bioactive small molecule. To do so experimentally requires a significant investment of time and resources, which can be expedited with a reliable computational target fishing model. The development of computational target fishing models using machine learning has become very popular over the last several years because of the increased availability of large amounts of public bioactivity data. Unfortunately, the applicability and performance of such models for natural products has not yet been comprehensively assessed. This is, in part, due to the relative lack of bioactivity data available for natural products compared to synthetic compounds. Moreover, the databases commonly used to train such models do not annotate which

SUBMITTER: Cockroft NT 

PROVIDER: S-EPMC7291623 | biostudies-literature | 2019 Nov

REPOSITORIES: biostudies-literature