Aug 2026· Journal of Medicinal Chemistry· Vol 69, pp. 19593 - 19600· 0 citations· 23 references
Medicine
TL;DR
The lessons learnt from a series of in-person and online workshops to grow the AI skills base for medicinal chemistry and enable adoption across regional research hubs are discussed, the fit-for-purpose open-source tools developed, and key considerations for future initiatives.
Abstract
Artificial Intelligence (AI) has become an integral part of drug discovery in high-income countries. However, these advances have yet to be broadly adopted by research ecosystems in many low- and middle-income countries in Africa, where understudied infectious diseases, compounded by a growing noncommunicable disease burden, cause millions of deaths each year. Given adequate support and appropriate models AI could play a transformative role in under-resourced biomedical research ecosystems in Africa, democratizing drug discovery research. There is an urgent need to invest in building the critical infrastructure, tools, and capacity required. To drive this agenda forward, Ersilia, the H3D Centre, and H3D Foundation with support from the AI2050 program at Schmidt Sciences hosted a series of in-person and online workshops in Africa to grow the AI skills base for medicinal chemistry and enable adoption across regional research hubs. In this perspective article, we discuss the lessons learnt from this program, the fit-for-purpose open-source tools developed, and key considerations for future initiatives.
Recommendations are provided for the development of AI in drug discovery with the aim of increasing its translational relevance, including benchmarking studies of AI tools in drug discovery need to move on from model validation and instead focus on their ability to improve decision making.
Andreas Bender, Morgan C. Thomas, J. Scannell et al.· Nature reviews. Drug discove...· 10 citations
In silico medicine, which depends on computational modeling and simulation,
is becoming more popular in drug discovery worldwide. Biomedical research is being
rapidly transformed by Artificial Intelligence (AI), but there are risks associated with regulatory
ambiguity. The integration of AI offers significant oppor...
S. Mutta, Naifa Faiz, T. N. et al.· Applied Drug Research, Clini...· 0 citations
The evolving role of AI in modern drug discovery is discussed while highlighting the importance of explainable algorithms, high-quality biomedical data, real-world evidence, and interdisciplinary collaboration.
Mohsen Zabihi· Advances in Pharmacology and...· 0 citations
Background: A widening gap exists between Africa's share of the global disease burden and its participation in clinical pharmaceutical research. The continent shoulders approximately one quarter of all disease globally yet contributed fewer than two percent of clinical trials conducted worldwide in 2023. This review sy...
L. Barugahale, Agape Philipo Barugahale· Universal Journal of Pharmac...· 0 citations
A structured view of current advances, persistent gaps, and future directions in AI-enabled pharmaceutical innovation is offered, showing growing convergence between AI and precision therapeutics, but real-world application demands robust validation, collaboration, explainable AI, and global standards.
M. Fareed, S. Shityakov· Quantum Machine Intelligence· 0 citations
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