Abstract
The discovery of drugs and its pipelines formulation is tough, long, and depend on various factors. Machine Learning comes as a savior to this field and supplies different tools and techniques that are used to drastically improve the discovery as well as the decision-making capabilities for questions that have been well specified and already have an abundant amount of high quality data. There are several possibilities in each and every stage of drug discovery to apply Machine Learning tools and techniques. The applications of Machine Learning have proved from time to time that with some of its approaches generating accurate predictions and insights are very easy. Thus its application has not only been limited to the theoretical part of drug discovery, but has also proven that it can be used in practical conditions too. But there are certain challenges that we need to face that come with Machine Learning. Its inadequacy in terms of interpreting and repeating in its results may sometimes pose as a hindrance to their application in some areas. It also requires consistent and comprehensive high-quality data in almost all areas. There are continuous efforts being put to find a solution for such problems and also growing the reach of machine learning to new fields. Machine Learning can boost data-driven decision-making in this field and has the capability to accelerate the whole process and lessen the failure rates in drug discovery and development.
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References
Eliopoulos, H., Giranda, V., Carr, R., Tiehen, R., Leahy, T., Gordon, G.: Phase 0 trials: an industry perspective. Clin. Cancer Res. 14(12), 3683–3688 (2008)
Xue, H., Li, J., Xie, H., Wang, Y.: Review of drug repositioning approaches and resources. Int. J. Biol. Sci. 14(10), 1232 (2018)
Schuhmacher, A., Gassmann, O., Hinder, M.: Changing R&D models in research based pharmaceutical companies. J. Trans. Med. 14(1), 105 (2016)
Khanna, I.: Drug discovery in pharmaceutical industry: productivity challenges and trends. Drug Discovery Today 17(19–20), 1088–1102 (2012)
Hwang, T.J., Carpenter, D., Lauffenburger, J.C., Wang, B., Franklin, J.M., Kesselheim, A.S.: Failure of investigational drugs in late-stage clinical development and publication of trial results. JAMA Int. Med. 176(12), 1826–1833 (2016)
Lowe D.: The latest on drug failure and approval rates. blogs.sciencemag.org/pipeline/archives/2019/05/09/the-latest-on-drugfailure-and-approval-rates. Accessed 16 Sept 2019
Deloitte Centre for Health Solutions. Embracing the future of work to unlock R&D productivity. deloitte.com/content/dam/Deloitte/uk/Documents/life-sciences-health-care/deloitte-uk-measuring-roi-pharma.pdf. Accessed 25 Dec 2018
Meekings, K.N., Williams, C.S., Arrowsmith, J.E.: Orphan drug development: an economically viable strategy for biopharma R&D. Drug Disco. Today 17(13–14), 660–664 (2012)
Walker, J.: Machine learning drug discovery applications—pfifizer, Roche, GSK, and more. emerj.com/ai-sector-overviews/machine-learningdrug-discovery-applications-pfifizer-roche-gsk. Accessed 16 Sept 2019
Meath, P.: How the AI revolution is speeding up drug discovery. jpmorgan.com/commercial-banking/insights/ai-revolution-drug-discovery
Chan, H.S., Shan, H., Dahoun, T., Vogel, H., Yuan, S.: Advancing drug discovery via artificial intelligence. Trends Pharmacol. Sci. (2019). Accessed 16 Sept 2019
Armstrong, M.: Big pharma piles into machine learning, but what will it get out of it? (2018). evaluate.com/vantage/articles/analysis/vantagepoints/big-pharma-piles-machine-learning-what-will-it-get-out-it. Accessed 16 Sept 2019
Dutton, G.: Automation cuts drug development to 5Â years. lifescienceleader.com/doc/automation-cuts-drug-development-to-years-0001. Accessed 16 Sept 2019
Dugger, S.A., Platt, A., Goldstein, D.B.: Drug development in the era of precision medicine. Nat. Rev. Drug Discov. 17(3), 183 (2018)
West, M., Ginsburg, G.S., Huang, A.T., Nevins, J.R.: Embracing the complexity of genomic data for personalized medicine. Genome Res. 16(5), 559–566 (2006)
Ekins, S., Puhl, A.C., Zorn, K.M., Lane, T.R., Russo, D.P., Klein, J.J., et al.: Exploiting machine learning for end-to-end drug discovery and development. Nat. Mater. 18(5), 435 (2019)
Hodos, R.A., Kidd, B.A., Khader, S., Readhead, B.P., Dudley, J.T.: Computational approaches to drug repurposing and pharmacology. Wiley Interdiscip. RevSyst. Biol. Med. 8(3), 186 (2016)
Pope, A.: The evolution of automation for pharmaceutical lead discovery (2010). case2010.org/Automation%20for%20Pharmaceutical%20Lead%20Discovery.pdf. Accessed 16 Sept 2019
Mishra, S., Tripathy, H.K., Mallick, P.K., Bhoi, A.K., Barsocchi, P.: EAGA-MLP—an enhanced and adaptive hybrid classification model for diabetes diagnosis. Sensors 20, 4036 (2020)
Mishra, S., Mallick, P.K., Jena, L., Chae, G.S.: Optimization of skewed data using sampling-based preprocessing approach. Front Public Health. 8:274 (2020). Published 2020 Jul 16. https://doi.org/10.3389/fpubh.2020.00274
Mallick, P.K., Mishra, D., Patnaik, S., Shaw, K.: A semi-supervised rough set and random forest approach for pattern classification of gene expression data. Int. J. Reasoning-Based Intell. Syst. 8(3–4), 155–167 (2016)
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Roy, S.N., Mishra, S., Yusof, S.M. (2021). Emergence of Drug Discovery in Machine Learning. In: Tripathy, H.K., Mishra, S., Mallick, P.K., Panda, A.R. (eds) Technical Advancements of Machine Learning in Healthcare. Studies in Computational Intelligence, vol 936. Springer, Singapore. https://doi.org/10.1007/978-981-33-4698-7_7
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