Computational Biology & AI Drug Discovery
Strand BIO
Isomorphic Labs, the DeepMind spinout built on AlphaFold 3's protein-structure predictions, advanced its first in-house oncology and immunology candidates toward first-in-human trials through 2025 and into 2026 — among the first therapies whose molecular design leaned on a deep-learning structure model rather than years of wet-lab screening alone. In February 2026 the company released IsoDDE, a follow-on model that roughly doubles AlphaFold 3's accuracy on the hardest ligand-binding cases, the ones where getting the geometry wrong wastes a trial rather than a simulation.
The early trial data is genuinely striking and genuinely partial: AI-designed candidates are clearing Phase I safety trials at 80–90%, well above the 40–65% historical average, but Phase II efficacy — does the drug actually work as well as hoped — is running at roughly the same rate for AI-designed and conventionally designed drugs alike. AI is proving it can design molecules that are safe; it hasn't yet proven it designs molecules that work better.