Machine Learning in Drug Discovery

Why is it that we still haven’t been able to figure out how to cure diseases like Alzheimer’s? It’s mainly because:

  1. We don’t understand the main mechanism of the disease (the pathways involved in misfolded amyloid accumulation). That means that when we choose a target, we’re not entirely sure if it is ‘druggable’ — that is — whether it will have the effect that we intend it to have.
  2. We don’t entirely understand the relationship between small molecule structure and physiological properties and side effects.