Automated High-Throughput Screening and De Novo Drug Design for Novel GPR40 Agonists Targeting Type 2 Diabetes
**Abstract:** This paper proposes an innovative, fully automated pipeline for identifying and synthesizing novel GPR40 agonists for the treatment of Type 2 Diabetes (T2D). Combining multi-modal data ingestion and analysis with a hierarchical evaluation framework, this system dramatically accelerates the drug discovery process. We demonstrate the scalability of the pipeline, leveraging reinforcement learning and Bayesian optimization to deliver promising drug candidates with enhanced selectivity and minimal off-target effects. The methodology relies entirely on validated, commercially available technologies, ensuring rapid translation to pharmaceutical research and development.
Institutions
- Freed–Hardeman University (US)
Publication Details
- Journal
- Zenodo (CERN European Organization for Nuclear Research)
- Published
- 2025-09-09
- DOI
- https://doi.org/10.5281/zenodo.17082206
- Primary Topic
- Geochemistry and Geologic Mapping
- Type
- article
- Field-Weighted Citation Impact
- 0.00