“We represented molecules as a vector of the probability of creator… 1800 element vector… top-5 accuracy of 60%… it does as well as if you use chemical formulas”
“We got a top five accuracy of 60%… we represent the molecules… as a vector of the probability of creator”
Ian Quigley, LeashBio · Latent Space: The AI Engineer Podcast · Lab-in-the-Loop at Compute Speed - Ian Quigley, Leash Bio
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What was described
Created a 1,800-element vector representing the probability that each of 1,815 chemists authored a given molecule, then trained a classifier on that representation to predict the chemist from the molecule alone
top-5 accuracy 60%
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