Volume 1 Issue 3 | 2024 | View PDF
Paper Id: IJMSM-V1I3P102
doi: 10.71141/30485037/V1I3P102
Transforming Pharmaceutical R&D with Machine Learning: Advances in AI-Driven Drug Design
Santhosh
Citation:
Santhosh, "Transforming Pharmaceutical R&D with Machine Learning: Advances in AI-Driven Drug Design" International Journal of Multidisciplinary on Science and Management, Vol. 1, No. 3, pp. 14-28, 2024.
Abstract:
Machine learning technologies have changed the curve in pharmaceutical research and development (R&D). Taking advantage of these advancements, more efficient drug discovery, prediction of molecular interactions, and faster identification of possible therapeutic candidates were possible. In this paper, recent inventions in AI based drug design are explored, and the use of deep learning algorithms, generative modeling, and structure based drug discovery are exhibited. Finally, case studies highlight the capability of ML approaches to alleviate the traditional R&D limitations: high attrition rate, long development time, and increasing costs. We also discuss the issues of bringing AI into the pharmaceutical pipeline, data quality, interpretability, and regulatory issues, as well as the potential for AI to transform personalized medicine in the future.
Keywords: Machine Learning, Drug Discovery, AI-Driven Drug Design, Pharmaceutical R&D, Generative Models, Predictive Modeling, Personalized Medicine.
References:
1. Purvashi Pasrija et al., “Machine Learning and Artificial Intelligence: A Paradigm Shift in Big Data-Driven
Drug Design and Discovery,” Current Topics in Medicinal Chemistry, vol. 22, no. 20, pp. 1692-1727, 2022.
2. Ankitkumar Tejani, and Vinay Toshniwal, “Differential Energy Consumption Patterns of HVAC Systems
in Residential and Commercial Structures: A Comparative Study,” ESP International Journal of
Advancements in Science & Technology, vol. 1, no. 3, pp. 47-58, 2023.
3. Sanjay Moolchandani, “Advancing Credit Risk Management: Embracing Probabilistic Graphical Models in
Banking,” International Journal of Science and Research, vol. 13, no. 6, pp. 74-80, 2024.
4. Jayanna Hallur, “From Monitoring to Observability: Enhacing System Reliability and Team Productivity,”
International Journal of science and Research, vol. 13, no. 10, pp. 602-606, 2024.
5. Bharatbhai Pravinbhai Navadiya, “A Survey on Deep Neural Network (DNN) Based Dynamic Modelling
Methods for Ac Power Electronic Systems,” International Journal on Recent and Innovation Trends in
Computing and Communication, vol. 12, no 2, pp. 735-743, 2024.
6. Fabio Pammolli, Laura Magazzini, and Massimo Riccaboni, “The Productivity Crisis in Pharmaceutical
R&D,” Nature Reviews Drug Discovery, vol. 10, pp. 428-438, 2011.
7. Harry Yang, Data Science, AI, and Machine Learning in Drug Development, pp. 1-334, 2022.
8. Vijay Panwar, “Decentralized Ai in Database Management: Revolutionizing Data Processing and
Analysis,” International Journal of Engineering Applied Sciences and Technology, vol. 8, no. 9, pp. 48-56,
2024.
9. Suresh Dara et al., “Machine Learning in Drug Discovery: A Review,” Artificial Intelligence Review, vol. 55,
pp. 1947-1999, 2000.
10. Ankitkumar Tejani, “AI-Driven Predictive Maintenance in HVAC Systems: Strategies for Improving
Efficiency and Reducing System Downtime,” ESP International Journal of Advancements in Science &
Technology, vol. 2, no. 3, pp. 6-19, 2024.
11. Sheela Kolluri et al., “Machine Learning and Artificial Intelligence in Pharmaceutical Research and
Development: A Review,” The AAPS Journal, vol. 24, pp. 1-10, 2022.
12. Jayanna Hallur, “Social Determinants of Health: Importance, Benifits to communites, and Best practices
for Data Collection and Utilization,” International Journal of Science and Research, vol. 13, no. 10, pp. 846-
852, 2024.
13. Hongyu Chen et al., “Comprehensive Applications of the Artificial Intelligence Technology in New Drug
Research and Development,” Health Information Science and Systems, vol. 12, 2024.
14. Phuvamin Suriyaamporn et al., “The Artificial Intelligence-Powered New Era in Pharmaceutical Research
and Development: A Review,” AAPS PharmSciTech, vol. 25, pp. 188, 2024.
15. Apurva P. Samudra, and Nikolaos V. Sahinidis, “Optimization-Based Framework for Computer-Aided
Molecular Design,” AIChE Journal, vol. 59, no. 10, pp. 3686-3701, 2013.
16. Raymond Miller et al., “How Modeling and Simulation Have Enhanced Decision Making in New Drug
Development,” Journal of Pharmacokinetics and Pharmacodynamics, vol. 32, pp. 185-197, 2005.
17. Víctor Gallego et al., “AI in Drug Development: A Multidisciplinary Perspective,” Molecular Diversity, vol.
25, pp. 1461-1479, 2021.
18. Naureen Afrose et al., “AI-Driven Drug Discovery and Development,” Future of AI in Biomedicine and
Biotechnology, pp. 1-19, 2024.
19. Ankitkumar Tejani et al., “Natural Refrigerants in the Future of Refrigeration: Strategies for Eco-Friendly
Cooling Transitions,” ESP Journal of Engineering & Technology Advancements, vol. 2, no. 1, pp. 80-91,
2022.
20. Ram C, Vijay L, Soorya D, "Erythrina Indica Ethyl Acetate Extract Inhibits Diethyl Nitrosamine-Induced
Developmental Toxicity via Changing the Notch Signalling Pathway in Zebrafish Embryos" International
Journal of Multidisciplinary on Science and Management, Vol. 1, No. 1, pp. 21-24, 2024.
21. Samia Hassan Rizk, “Ethical and Regulatory Challenges of Emerging Health Technologies,” Applied Ethics
in a Digital World, pp. 1-17, 2022.
22. Ankitkumar Tejani, and Vinoy Toshniwal, “Enhancing Urban Sustainability: Effective Strategies for
Combining Renewable Energy with HVAC Systems,” ESP International Journal of Advancements in Science
& Technology, vol. 1, no. 1, pp. 47-60, 2023.
23. Indhupriya Subramanian et al., “Multi-Omics Data Integration, Interpretation, and its Application,”
Bioinformatics and Biology Insights, vol. 14, pp. 1-24, 2020.
24. Vijay Panwar, “AI-Driven Query Optimization: Revolutionizing Database Performance and Efficiency,”
International Journal of Computer Trends and Technology, vol. 72, no. 3, pp. 18-26, 2024.
25. Raffaele Santagati et al., “Drug Design on Quantum Computers,” Nature Physics, vol. 20, pp. 549-557,
2024.
26. Bayo Lau et al., “Insights from Incorporating Quantum Computing into Drug Design Workflows,”
Bioinformatics, vol. 39, no .1, pp. 1-11, 2023.
27. Poulami Das et al., “A Brief Review on Quantum Computing Based Drug Design,” Wiley Interdisciplinary
Reviews: Data Mining and Knowledge Discovery, vol. 14, no. 6, 2024.
28. Jayanna Hallur, “The Future of SRE: Trends, Tools, and Techniques for the Next Decode,” International
Journal of science and Research, vol. 13, no. 9, 2024.
29. Decheng Huang et al., “Ai-Driven Drug Discovery: Accelerating the Development of Novel Therapeutics
in Biopharmaceuticals,” Journal of Knowledge Learning and Science Technology, vol. 3, no. 3, pp. 206-224,
2024.
30. Vijay Panwar, “Leveraging AWS APIS for Database Scalability and Flexibility: A Case Study Approach,”
International Journal of Engineering Applied Sciences and Technology, vol. 8, no. 11, pp. 44-52, 2024.
31. Ankitkumar Tejani, and Rashi Khandelwal, “Enhancing Indoor Air Quality through Innovative
Ventilation Designs: A Study of Contemporary HVAC Solutions,” ESP International Journal of
Advancements in Science & Technology, vol. 1, no. 2, pp. 35-48, 2023.