State-of-the-art AI programs can support the development of drugs by predicting how proteins interact with small molecules.

When machine learning is used to suggest new potential scientific insights or directions, algorithms sometimes offer solutions that are not physically sound. Subscribe to our newsletter for the latest ...

AI drug discovery firm Isomorphic Labs has completed the company’s first external funding round since its 2021 founding within Google parent company Alphabet, raising $600 million to advance its ...

Google DeepMind has expanded its AlphaFold AI system to not only predict the structure of proteins, but also to model how proteins interact with other cell structures, including DNA, RNA, and small ...

Researchers headed by teams at the Advanced Science Research Center at the CUNY Graduate Center (CUNY ASRC) and Memorial Sloan Kettering Cancer Center have developed what they describe as a ...

Neo-1 is the first model to unify de novo molecular generation and atomic-level structure prediction in a single model, by generating latent representations of whole molecules instead of predicting ...

How does one identify something no one has a test for? Designer drugs replicate the effects of known, illicit drugs but evade law enforcement. The chemical structure variations that help these ...