The model gives a three dimensional map of part of one of the crystal salts of penicillin. The contours are lines of electron density and show the positions of individual atoms in the structure.

"Many chemists think of penicillin's core as the critical site ... "We can then use this information to train an AI model on what it's supposed to be looking for," Davis adds.

A recent study published in Nature Machine Intelligence by McMaster University and Stanford University researchers introduces SyntheMol, a generative AI model capable of designing new antibiotics ...