Small molecule drug discovery involves optimizing multiple endpoints simultaneously, including potency on the target proteins, selectivity against undesirable targets, optimal physico-chemical properties and toxicity-free profile. BIOVIA’s Generative Therapeutic Design (GTD) is a cloud-based AI solution that uses generative algorithms and machine learning to automatically explore the chemical space around reference molecules, and prioritizes a small set of compounds with desired target product profile. This webinar will showcase how in a real-world drug discovery project, GTD helped identify small molecule inhibitors targeting oncogenic pathways as potential cancer therapeutics.
Learning Objectives:
- How AI and machine learning can accelerate drug design
- BIOVIA’s collaborative cloud solution for small molecules therapeutics design
- OICR (Ontario Institute for Cancer Research) Case Study: Optimization of novel cancer therapeutics with BIOVIA’s Generative Therapeutics Design
