Browsing Graduate School of Education by Author "Wadhawan, Kahini"

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    • Accelerating Antimicrobial Discovery With Controllable Deep Generative Models and Molecular Dynamics 

      Das, Payel; Sercu, Tom; Wadhawan, Kahini; Padhi, Inkit; Gehrmann, Sebastian; Cipcigan, Flaviu; Chenthamarakshan, Vijil; Strobelt, Hendrik; dos Santos, Cicero; Chen, Pin-Yu; Yang, Yi Yan; Tan, Jeremy P.K.; Hedrick, James; Crain, Jason; Mojsilovic, Aleksandra; Mojsilovic (2021-03-11)
      De novo therapeutic design is challenged by a vast chemical repertoire and multiple constraints such as high broad-spectrum potency and low toxicity. We propose CLaSS (Controlled Latent attribute Space Sampling) — an ...