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.

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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
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article

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

Aloysius T. Nchinda
ACS Medicinal Chemistry Letters
Computational Drug Discovery Methods
article

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

Aloysius T. Nchinda
article en

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.

ACS Medicinal Chemistry LettersVol. 17(2)
Merck & Co., Inc., Rahway, NJ, USA (United States) (US), University of Cape Town (ZA), Discovery Centre (CA)
Peace, Justice and strong institutions
Openalex Percentile: Top 85%
Computational Drug Discovery Methods
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