AI in drug discovery at scale: an inspiring talk from Sergei Yakneen, CTO at Isomorphic Labs, at ...

AI in drug discovery at scale: an inspiring talk from Sergei Yakneen, CTO at Isomorphic Labs, at BiotechX2025 in Basel this morning.

Isomorphic, the Alphabet Inc. / Google subsidiary that leverages the Nobel-price winning technology of AlphaFold, presented some impressive results of their AlphaFold3 technology.

It is one of the best models to predict the complex interactions and dynamic folding of not only the protein but also the ligand, which can include nucleic acids and also the small molecule candidates, therefore being able to shift an entire part of the drug discovery process fully into silico.

On top of the binding modeling; the Isomorphic Labs models also include models for parameters like how easy it is to manufacture at scale.

Beyond the pure protein/ligang models the conpany has huge ambitions to also model higher levels of interaction and systems, be it at cell, tissue, organ, or full patient level.

I wasn't that impressed with Google's activities in the life sciences space in previous years, but it is very clear that they are really onto something here.

A space to watch closely.