A KAUST alumnus presented research on using large language models for complex disease modeling and drug discovery. LLMs were trained on insurance claims of 123 million US people to model diseases and predict genetic parameters. Protein language models were developed to discover remote homologs and functional biomolecules, while RNA language models were used for RNA structure prediction and reverse design. Why it matters: This work highlights the potential of LLMs to accelerate computational biology research and drug development, with a KAUST connection.
MBZUAI hosted a two-day workshop on "Big Model AI in Drug Design" starting February 20, 2023. The workshop featured presentations from researchers in public and private institutions working on AI and health. MBZUAI Adjunct Professor Eran Segal opened the workshop with a talk on the Human Phenotype Project. Why it matters: The event highlights the growing interest and activity in applying AI, particularly large models, to advance drug discovery and personalized medicine within the UAE's research ecosystem.
MBZUAI's Professor Le Song is developing an AI-driven simulation to model the human body at societal, organ, tissue, cellular, and molecular levels. The goal is to reduce the time and cost associated with bringing new medicines to market by removing the need for wet lab biological research. Song aims to create a comprehensive model using machine learning. Why it matters: This research could revolutionize drug discovery in the region by accelerating the development process and reducing reliance on traditional research methods.
The paper introduces UAE-3D, a multi-modal VAE for 3D molecule generation that compresses molecules into a unified latent space, maintaining near-zero reconstruction error. This approach simplifies latent diffusion modeling by eliminating the need to handle multi-modality and equivariance separately. Experiments on GEOM-Drugs and QM9 datasets show UAE-3D establishes new benchmarks in de novo and conditional 3D molecule generation, with significant improvements in efficiency and quality.
MBZUAI Professor Kun Zhang is working on applying AI to understand cause-and-effect relationships in biology, with the goal of accelerating scientific discovery and improving human health. He aims to develop foundation models for biology that can process diverse data types and provide insights into the causes and treatments of health problems. These models could help scientists develop new medicines and preventative measures for diseases. Why it matters: This research has the potential to significantly advance the field of medicine by enabling a deeper understanding of the complex biological processes that underlie disease.