Pharmaceutical companies are developing in - house versions as the data of AlphaFold is about to run out. The latest AlphaFold 3 model is hailed as a game - changer in drug discovery, as it can simulate the interactions of proteins with other molecules, including drugs...

Pharmaceutical Companies Are Developing In - house Versions as AlphaFold's Data Runs Out

The latest AlphaFold 3 model is hailed as a game - changer for drug discovery as it can simulate the interactions between proteins and other molecules, including drugs. But scientists say that the data AlphaFold relies on (hundreds of thousands of publicly available protein structures) lacks examples of these interactions, which hinders the tool's application in the areas of most interest to pharmaceutical companies. Today, a leading consortium of pharmaceutical companies announced plans to create their own AlphaFold 3 - inspired AI model using thousands of protein structures secretly held in company vaults, to supplement the more than 200,000 protein structures freely available in the Protein Data Bank (PDB). But there are currently no plans to open the consortium's model to companies outside its member firms, which include AbbVie, Johnson & Johnson, Sanofi, and Boehringer Ingelheim. "The data missing from the PDB is exactly the data that exists in our internal databases."

—— Nature

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