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The application of AI/ML methods to drug discovery has been an area of significant investment for at least 10 years now. Exscientia, one of the most well-known companies in this area, for example, was founded in 2012. With so much news covering the space, it’s easy to have gotten lost on where exactly the field is today.

In this three-part Drug Hunter special on Artificial Intelligence and Machine Learning in Drug Discovery, we cover:

  • Different ways companies are applying AI/ML to drug discovery
  • Molecules from AI/ML discovery programs in clinical development
  • Molecules from AI/ML repurposing programs in clinical development
  • A round-up of companies with recent updates in the field
Explore the Series
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Your Worst Drug Discovery Nightmare?

On Halloween we polled the audience on what keeps them up at night in drug discovery. Non-monitorable tox is pretty spooky!

Several readers commented to us that the scariest thing is actually seeing commercial organizations cancel a project based on business decisions rather than the science. Says one reader, “Scariest thing for a clinical candidate is when [the commercial team] decides that it will not be profitable based on error prone projections and they advise management to drop your program. [The commercial team] is most always wrong.”

Tell us your thoughts by replying directly to this e-mail!
more recent content
Here's a recap of other stories recently published on Drug Hunter:
  1. How Does This Thing Get in the Brain??
  2. Synthetic Access to Stable Atropisomers in Drug Discovery
  3. Molecules of the Month – September 2022
  4. Molecules of the Month Runners-Up – August 2022 (p)
  5. New FDA Approval: Deucravacitinib (Sotyktu) (p)
  6. Voxelotor, A $5.4 Billion Reversible Covalent Aldehyde (p)
  7. Computational Partnership in Small Molecule Drug Discovery
  8. An Intracellular Enzyme Drug via Endocytosis: Olipudase Alfa (p)
  9. Molecules of the Month - Aug 2022 (p)
  10. Drug Discovery Technology Review: 2022Q2/Q3 (p)
  11. EMA Approval: Lenacapavir (Sunlenca) (p)
  12. The 27 Lead Drug Molecules Acquired from Biotechs in 2021 (p)
Premium members get access to ten new molecules every month, our archive of hundreds of in-depth, structure-searchable case studies, coverage of novel drug approvals, emerging drug discovery companies, and more...
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career opportunity

Aqemia is a pharmatech company generating one of the world's fastest-growing drug discovery pipelines. Our mission is to design innovative drug candidates for dozens of critical diseases. Our differentiation lies in our unique quantum and statistical mechanics algorithms that comes from 10 years of academic research in Oxford, Cambridge, and CNRS. This breakthrough technology predicts the efficacy of molecules 10,000 times faster and more accurately than what exists today on the market, from the nature and position of atoms. It fuels a generative AI to design novel drug candidates with better chances of success. We are developing a massive pipeline of wholly-owned drug discovery projects, in order to generate dozens of up to $1B-worth Biotechs. 


In only 3 years, the company achieved key milestones, such as:

  • Built a team of 45 top-tier people at the crossroads of Chemistry and Machine Learning.

  • Collaborating with several top Big Pharmaceutical companies such as Sanofi, Servier and Janssen with 2M$ in revenues, and renewed our two first contracts after promising results.

  • Started multiple internal pipeline projects, with early good results to build on.

  • Fundraised $12M with Eurazeo (largest European investment fund) and Elaia Partners (French first deeptech VC fund).


Now, we are scaling our pipeline based on great early in-vitro results, launching up to 100 projects in 2022, and want to build a better presence in the US. Aqemia is growing fast and has multiple open positions! If you are interested in joining this amazing journey, contact us at
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