A Machine Learning Algorithm Suggests Repurposing Opportunities for Targeting Selected GPCRs.

ABSTRACT: Repurposing utilizes existing drugs with known safety profiles and discovers new uses by combining experimental and computational approaches. The integration of computational methods has greatly advanced drug repurposing, offering a rational approach and reducing the risk of failure in these efforts. Recognizing the potential for drug repurposing, we employed our Iterative Stochastic Elimination (ISE) algorithm to screen known drugs from the DrugBank database. Repurposing in our hands is based on computer models of the actions of ligands: the ISE algorithm is a machine learning tool that creates ligand-based models by distinguishing between the physicochemical properties of known drugs and those of decoys. The models are large sets of "filters" made out, each, of molecular properties. We s

SUBMITTER: El-Atawneh S 

PROVIDER: S-EPMC11432050 | biostudies-literature | 2024 Sep

REPOSITORIES: biostudies-literature