Friday, May 5, 2023 - Virtual

Machine Learning for Drug Discovery Workshop


We are at a pivotal moment in healthcare characterized by unprecedented scientific and technological progress in recent years together with the promise of personalized medicine to radically transform the way we provide care to patients. However, drug discovery has become an increasingly challenging endeavor: not only has the success rate of developing new therapeutics been historically low, but this rate has been steadily declining . The average cost to bring a new drug to market (factoring in failures) is now estimated at $2.6 billion – 140% higher than a decade earlier. 

Machine learning-based approaches present a unique opportunity to address this challenge.  Last year, the first ‘Machine Learning for Drug Discovery’ (MLDD) workshop at ICLR 2022 brought together hundreds of attendees and world-class experts in ML for drug discovery. The second edition of MLDD workshop aims at bringing together the community to discuss cutting edge research in this area on the following three themes, covering the end-to-end drug discovery process:

The workshop will feature talks from leading researchers and pioneers in ML applied to drug discovery, a community challenge, as well as spotlight presentations and poster sessions for accepted papers.



MIT, Broad Institute

TUM, Helmholtz Munich

Causal Bench Challenge

In parallel to the workshop, we are organizing a machine-learning challenge focusing on gene graph inference on perturbational single cell data.

Teams with the best submissions will be invited to present their solution during the workshop and are eligible for prizes from our sponsor.

All details are available on the challenge website, here.

For more information about the challenge, check out the video below!


GSK is a science-led global healthcare company with a special purpose to improve the quality of human life by helping people do more, feel better, live longer. Every day, we help improve the health of millions of people around the world by discovering, developing and manufacturing innovative medicines, vaccines and consumer healthcare products. We are building a stronger purpose and performance culture underpinned by our values and expectations - so that together we can deliver extraordinary impact for patients and consumers.

GSK uses AI to discover transformational medicines. AI is the key to interpret genetic datasets so we can understand the 'language' of the cell and develop medicines with a higher probability of success.

  MLDD Workshop - ICLR 2023