Work

Optimizing Drug Discovery in Resource-Limited Settings: Multi-Parameter Optimization and Data-Driven Workflows

Year: 2026

Type: article

Abstract: 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.

Source: ACS Medicinal Chemistry Letters

DOI: 10.1021/acsmedchemlett.5c00501

Authors: Aloysius T. Nchinda, Karsten Menzel

Institutions: University of Cape Town, Merck & Co., Inc., Rahway, NJ, USA (United States)

Language: English

Topic: Computational Drug Discovery Methods

Subfield: Computational Theory and Mathematics

Field: Computer Science

Domain: Physical Sciences

Open Access status: green

OpenAlex ID: W7124425230

FWCI:

Cites: 27

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