Optimizing Drug Discovery in Resource-Limited Settings: Multi-Parameter Optimization and Data-Driven Workflows
The discovery of novel chemical entities for therapeutic use is a resource-intensive process. Given the constraints of drug discovery resources, it is crucial to allocate assets thoughtfully. This study identifies gaps in research organizations operating under resource limitations and proposes a pragmatic workflow tailored to these settings. This approach uses freely available tools to facilitate the determination of the clearance mechanism for the strategic advancement of chemical entities through data-informed decision-making processes while maximizing the efficiency.
Authors
- Aloysius T. Nchinda
Institutions
- Merck & Co., Inc., Rahway, NJ, USA (United States) (US)
- University of Cape Town (ZA)
- Discovery Centre (CA)
Publication Details
- Journal
- ACS Medicinal Chemistry Letters
- Published
- 2026-01-16
- DOI
- https://doi.org/10.1021/acsmedchemlett.5c00501
- Primary Topic
- Computational Drug Discovery Methods
- Type
- article
- Field-Weighted Citation Impact
- 0.00