AI in the Drug Discovery Industry

Apr 14, 2023

AI in the Drug Discovery Industry

Out now in Innovations in Pharmaceutical Technology, Optibrium’s Global Head of Application Science and President of Optibrium Inc, Dr Tamsin Mansley discusses the past, present and future of AI in drug discovery. She shares her thoughts on how AI technologies are best serving the drug discovery industry, how any limitations in the field are being tackled by innovations in technology and where the future of new drug discovery technologies look to be headed.



For drug discovery, there are three key areas of chemistry in which artificial intelligence (AI) technologies can be applied: generative chemistry, synthesis planning and compound property prediction. Together, these cover which potential drug candidates could be considered, how to synthesise them, and whether they will have the required balance of properties to successfully meet the project’s objectives.


Portrait image of Tamsin Mansley - Head of Application Science

About the author

Dr Tamsin Mansley, Global Head of Application Science and President Optibrium Inc.

Tamsin holds a PhD in Organic Chemistry from University of East Anglia in the UK and pursued Postdoctoral studies in the labs of Prof. Philip Magnus at University of Texas, Austin. She is an experienced drug discovery scientist, having worked as a medicinal chemist at Eli Lilly and UCB Research. Her interests lie in coupling machine learning and artificial intelligence techniques with generative chemistry approaches to explore chemistry space and guide compound design.


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