Compound Repurposing Using Chemical and Biological Data – On Types of Information and Lessons Learned

While drug repurposing has historically often been driven from clinical observations, the increasing amount of chemical and biological data available has led to a large increase of data-driven drug repurposing studies. In this presentation, we will review some of the studies from our own research in the area, and aim to derive some more general learnings on the information contents of chemical and biological data with respect to drug repurposing, with an emphasis on transcriptomics data.

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Author and article information

Conference

Publisher: ScienceOpen

Publication date (Electronic preprint): 13 August 2022

Affiliations

[1 ] Department of Chemistry, University of Cambridge

Author notes

[* ]Email: ab454@ 123456cam.ac.uk .

Author information

Andreas Bender https://orcid.org/0000-0002-6683-7546

Article

DOI: 10.14293/S2199-1006.1.SOR-.PPP8H3IG.v1

SO-VID: 4077eef9-62b0-4887-9b28-71c6d36086ec

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This work has been published open access under Creative Commons Attribution License CC BY 4.0 , which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. Conditions, terms of use and publishing policy can be found at www.scienceopen.com .

Conference name: RExPO22

Conference location: Maastricht, Netherlands

Conference date: 2-3 September, 2022

History

Date received : 13 August 2022

Data availability: Data sharing not applicable to this article as no datasets were generated or analysed during the current study.

Keywords: Information Contents,Predictivity,Gene Expression Data,Repurposing

References

Bender A.. Chapter 8. Using Artificial Intelligence for Drug RepurposingDrug Repurposing. p. 147–172. 2022. Royal Society of Chemistry. [Cross Ref]
Bender Andreas, Cortes-Ciriano Isidro. Artificial intelligence in drug discovery: what is realistic, what are illusions? Part 2: a discussion of chemical and biological data. Drug Discovery Today. Vol. 26(4):1040–1052. 2021. Elsevier BV. [Cross Ref]
Bender Andreas, Cortés-Ciriano Isidro. Artificial intelligence in drug discovery: what is realistic, what are illusions? Part 1: Ways to make an impact, and why we are not there yet. Drug Discovery Today. Vol. 26(2):511–524. 2021. Elsevier BV. [Cross Ref]

Comments

Comment on this article

[1] Bender A.. Chapter 8. Using Artificial Intelligence for Drug RepurposingDrug Repurposing. p. 147–172. 2022. Royal Society of Chemistry. [Cross Ref]

[2] Bender Andreas, Cortes-Ciriano Isidro. Artificial intelligence in drug discovery: what is realistic, what are illusions? Part 2: a discussion of chemical and biological data. Drug Discovery Today. Vol. 26(4):1040–1052. 2021. Elsevier BV. [Cross Ref]

[3] Bender Andreas, Cortés-Ciriano Isidro. Artificial intelligence in drug discovery: what is realistic, what are illusions? Part 1: Ways to make an impact, and why we are not there yet. Drug Discovery Today. Vol. 26(2):511–524. 2021. Elsevier BV. [Cross Ref]