Skip to main content

Medication Revelation Utilizing Neural Network

  • Chapter
  • First Online:
Artificial Intelligence in Industrial Applications

Part of the book series: Learning and Analytics in Intelligent Systems ((LAIS,volume 25))

Abstract

In the fields of drug discovery and development, machine learning algorithms have been used for the development of novel drug candidates. The methods for designing drug targets and novel drug discovery now routinely combine machine learning and deep learning algorithms to enhance the efficiency, efficacy, and quality of developed outputs. The generation and incorporation of big data, through technologies such as high-throughput screening and high through-put computational analysis of databases used for both lead and target discovery, has increased the reliability of the machine learning and deep learning incorporated Algorithms. In this work, the applications that produce promising results and methods will be reviewed. The use of virtual screening and encompassing online information has also been highlighted in developing lead synthesis pathways.

This is a preview of subscription content, log in via an institution to check access.

Access this chapter

Chapter
USD 29.95
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
eBook
USD 139.00
Price excludes VAT (USA)
  • Available as EPUB and PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book
USD 179.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info
Hardcover Book
USD 179.99
Price excludes VAT (USA)
  • Durable hardcover edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Purchases are for personal use only

Institutional subscriptions

Similar content being viewed by others

References

  1. L. Patel, T. Shukla, X. Huang, D.W. Ussery, S. Wang, Machine learning methods in drug discovery. Molecules 25(22), 5277 (2020)

    Google Scholar 

  2. J. Fayyad, M.A. Jaradat, D. Gruyer, H. Najjaran, Deep learning sensor fusion for autonomous vehicle perception and localization: a review. Sensors 20(15), 4220 (2020)

    Google Scholar 

  3. J. Kowalewski, A. Ray, Predicting novel drugs for SARS-CoV-2 using machine learning from a> 10 million chemical space. Heliyon 6(8) (2020)

    Google Scholar 

  4. S. Mohanty, M.H.A. Rashid, M. Mridul, C. Mohanty, S. Swayamsiddha, Application of artificial intelligence in COVID-19 drug repurposing. Diabetes & Metabolic Syndrome: Clinical Research & Reviews (2020)

    Google Scholar 

  5. B. Ryu, D.S. Kim, A.M. DeLuca, R.M. Alani, Comprehensive expression profiling of tumor cell lines identifies molecular signatures of melanoma progression. PloS One 2(7) (2007)

    Google Scholar 

  6. Y.H. Feng, S.W. Zhang, J.Y. Shi, DPDDI: a deep predictor for drug-drug interactions. BMC Bioinformatics 21(1), 1–15 (2020)

    Article  Google Scholar 

  7. F.R. Fields, S.D. Freed, K.E. Carothers, M.N. Hamid, D.E. Hammers, J.N. Ross, S.W. Lee, Novel antimicrobial peptide discovery using machine learning and biophysical selection of minimal bacteriocin domains. Drug Development Research 81(1), 43–51 (2020)

    Google Scholar 

  8. C.W. Coley, R. Barzilay, T.S. Jaakkola, W.H. Green, K.F. Jensen, Prediction of organic reaction outcomes using machine learning. ACS Central Science 3(5), 434–443 (2017)

    Article  Google Scholar 

  9. Q. Yang, V. Sresht, P. Bolgar, X. Hou, J.L. Klug-McLeod, C.R. Butler, Molecular transformer unifies reaction prediction and retrosynthesis across pharma chemical space. Chem. Commun. 55(81), 12152–12155 (2019)

    Article  Google Scholar 

  10. M. Ragoza, J. Hochuli, E. Idrobo, J. Sunseri, D.R. Koes, Protein-ligand scoring with convolutional neural networks. J. Chem. Inform. Model 57(4), 942–957 (2017)

    Article  Google Scholar 

  11. P. Chang, J. Grinband, B.D. Weinberg, M. Bardis, M. Khy, G. Cadena, D. Chow, Deep-learning convolutional neural networks accurately classify genetic mutations in gliomas. Am. J. Neurorad. 39(7), 1201–1207 (2018)

    Google Scholar 

  12. A. Mencattini, D. Di Giuseppe, M.C. Comes, P. Casti, F. Corsi, F.R. Bertani, E. Martinelli, Discovering the hidden messages within cell trajectories using a deep learning approach for in vitro evaluation of cancer drug treatments. Sci. Rep. 10(1), 1–11 (2020)

    Google Scholar 

  13. I.I. Baskin, D. Winkler, I.V. Tetko, A renaissance of neural networks in drug discovery. Expert Opinion Drug Disc. 11(8), 785–795 (2016)

    Article  Google Scholar 

  14. F. Ghasemi, A. Mehridehnavi, A. Perez-Garrido, H. Perez-Sanchez, Neural network and deep-learning algorithms used in QSAR studies: merits and drawbacks. Drug Discov. Today 23(10), 1784–1790 (2018)

    Article  Google Scholar 

  15. H. Chen, O. Engkvist, Y. Wang, M. Olivecrona, T. Blaschke, The rise of deep learning in drug discovery. Drug Disc. Today 23(6), 1241–1250 (2018)

    Article  Google Scholar 

  16. M.H. Segler, T. Kogej, C. Tyrchan, M.P. Waller, Generating focused molecule libraries for drug discovery with recurrent neural networks. ACS Central Sci. 4(1), 120–131 (2018)

    Article  Google Scholar 

  17. H.S. Chan, H. Shan, T. Dahoun, H. Vogel, S. Yuan, Advancing drug discovery via artificial intelligence. Trends Pharmacol. Sci. 40(8), 592–604 (2019)

    Article  Google Scholar 

  18. Z. Zhou, X. Li, R.N. Zare, Optimizing chemical reactions with deep reinforcement learning. ACS Cent. Sci. 3(12), 1337–1344 (2017)

    Article  Google Scholar 

  19. Yoshimasa & Takahashi, Identification of the dual action antihypertensive drugs using tfs-based support vector machines. Chem-Bio Inform. J. 9, 41–51 (2009)

    Article  Google Scholar 

  20. G.P. Rossi, Dual ACE and NEP inhibitors: a review of the pharmacological properties of MDL 100,240. Cardiovasc. Drug Rev. 21(1), 51–66 (2003)

    Article  Google Scholar 

  21. A. Korotcov, V. Tkachenko, D.P. Russo, S. Ekins, Comparison of deep learning with multiple machine learning methods and metrics using diverse drug discovery data sets. Molecul. Pharm. 14(12), 4462–4475 (2017)

    Article  Google Scholar 

Download references

Acknowledgements

We sincerely thank the reviewers and the Editor for their valuable suggestions.

Author information

Authors and Affiliations

Authors

Corresponding author

Correspondence to Virendra Singh Kushwah .

Editor information

Editors and Affiliations

Rights and permissions

Reprints and permissions

Copyright information

© 2022 The Author(s), under exclusive license to Springer Nature Switzerland AG

About this chapter

Check for updates. Verify currency and authenticity via CrossMark

Cite this chapter

Kushwah, V.S., Solanki, A., Votavat, B.M., Jain, A. (2022). Medication Revelation Utilizing Neural Network. In: Fernandes, S.L., Sharma, T.K. (eds) Artificial Intelligence in Industrial Applications. Learning and Analytics in Intelligent Systems, vol 25. Springer, Cham. https://doi.org/10.1007/978-3-030-85383-9_3

Download citation

Publish with us

Policies and ethics