AlphaFold works with other AI tools to go from target to hit molecule in 30 days

Artificial intelligence predicted structures

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End-to-end AI drug discovery process predicts potential inhibitors for a protein implicated in liver cancer

AlphaFold, an AI program that has previously demonstrated that it can predict protein structure from an amino acid sequence, has been paired with two other AI routines to afford an end-to-end AI drug discovery process even when a protein structure is not known. This combination of machine learning processes was able to predict a novel drug-like small molecule against a new target for liver cancer, demonstrating how AI can design bespoke therapeutics rapidly and accurately.