Small Molecules from AI/ML-Focused Companies Entering the Clinic (Part II)

Despite significant investment over the past decade, only a handful of companies are now bringing clinical candidates discovered with the assistance of AI/ML forward. Though there’s a looseness to what should count as an “AI-discovered drug,” here we highlight internally-generated drug programs from companies focused on leveraging AI/ML in drug discovery, who have explicitly stated that AI/ML methods were involved in the discovery process. These include but are not limited to:

  • A SHP2 inhibitor discovered using molecular dynamics simulations of proteins
  • A CNS-penetrant HDAC inhibitor and allosteric MEK inhibitor in nontraditional indications
  • A pan-Trk inhibitor discovered using literature data-mining to support target ID

For a review of the history of AI/ML in drug discovery and more resources on the topic, check out part I, and for preclinical small molecule AI/ML companies, check out part III of this series. 

request a trial

You don’t have time to read everything, but you can’t afford to fall behind.

Drug Hunter Premium is drug discovery, distilled, so you can quickly catch up and make informed decisions based on industry examples.

Get ahead now by requesting a trial.

already a member? log in:

Join the Drug Hunter mailing list

to get free content and resources weekly. Trusted by > 5,500 drug hunters worldwide. Unsubscribe anytime.

This field is for validation purposes and should be left unchanged.

Join Subscribers from

…and hundreds more!