Applying machine learning to transformationally augment the discovery of new medicines

ZebiAI Therapeutics is focused on applying machine learning (ML) at all stages of small molecule drug discovery to accelerate target validation and advance new therapeutics for unmet medical needs.

Our core technology applies ML algorithms to vast amounts of high quality protein-small molecule interaction data to:

  • Accelerate target validation by providing high quality chemical probe molecules to the research community
  • Rapidly discover and optimize novel chemical matter into clinical candidates

ZebiAI is powered by partnerships with DEL screening leader, X-Chem, and world-class leader in ML capabilities, Google.

Our paper, published in the Journal of Medicinal Chemistry, titled “Machine Learning on DNA-encoded Libraries: A New Paradigm for Hit-finding,” describes our approach and validation against nearly 2,000 molecules and 3 targets.

Our Partners


Brant Binder


Richard Wagner, Ph.D.

Founder and Director

Christelle Huguet, Ph.D.

Chair, Scientific Advisory Board

John Cuozzo Ph.D

SVP and Head of Drug Discovery

Brian Goldman, Ph.D.

SVP and Chief Computation Scientist

Rafael Gomez-Bombarelli, Ph.D.

Chief Learning Officer

Ed Koval

Chief Business Officer