A recent tweet from Ash Jogalekar got me thinking. List of compounds medicinal chemists wouldn't have bothered to pursue because they didn't fit "intuition" about "druglike" rules Aspirin Metformin ($400M revenue) Cyclosporin (>$1B) Dimethyl fumarate (>$4B) In drug discovery, there will always be enough exceptions to the rules — Ash Jogalekar (@curiouswavefn) June 24, 2019 Translating it to more ‘machine-learning-ish’ language this means that the problem of predicting ultimately success...
