Machine Learning for Drug Discovery: Bridging Computational Science and Medicine

Document Type : Review paper


Department of IT Management, Faculty of Management, Payam-e Noor University, Iraq


Background and aim: The revolutionary effects of machine learning at the nexus of computer science and medicine are explored in depth in this essay, particularly in the context of drug discovery. Its main goal is to investigate how machine learning methods are altering the field of pharmaceutical research by accelerating the identification of prospective drug candidates and enhancing therapeutic interventions.
Methods: The methodology employed in this investigation entails an exhaustive review of contemporary literature and an analysis of diverse case studies that exemplify the application of machine learning in drug discovery. The aim is to provide a comprehensive overview of how machine learning harnesses vast datasets, predicts intricate drug interactions, and streamlines the intricate drug discovery process.
Results: The findings of this investigation point to a striking advancement in machine learning-driven pharmaceutical research. These methods have greatly increased the effectiveness of drug development, allowing scientists to quickly and precisely identify prospective therapeutic candidates. Machine learning algorithms can analyze intricate chemical structures, determine how drugs interact with their targets, and predict pharmacological profiles, all of which speed up the creation of new therapies and treatments.
Conclusion: In conclusion, machine learning accelerates the identification of novel therapies and treatments, changing drug development by acting as a crucial link between computer science and medicine.


Main Subjects

Volume 2, Issue 2
Special Issue: Abstract and Papers from ICBMS23 (Turkey), ICBM23 (Hungary), ICCMM23 (Italy)
Pages 211-220
  • Receive Date: 31 December 2023
  • Accept Date: 31 December 2023