2 code implementations • 22 May 2020 • Payel Das, Tom Sercu, Kahini Wadhawan, Inkit Padhi, Sebastian Gehrmann, Flaviu Cipcigan, Vijil Chenthamarakshan, Hendrik Strobelt, Cicero dos Santos, Pin-Yu Chen, Yi Yan Yang, Jeremy Tan, James Hedrick, Jason Crain, Aleksandra Mojsilovic
De novo therapeutic design is challenged by a vast chemical repertoire and multiple constraints, e. g., high broad-spectrum potency and low toxicity.