Evaluating Scalable Uncertainty Estimation Methods for Deep Learning-Based Molecular Property Prediction

Scalia, G.G.ScaliaGrambow, C.A.C.A.GrambowPernici, B.B.PerniciLi, Y.-P.Y.-P.LiGreen, W.H.W.H.GreenYI-PEI LI2021-02-042021-02-042020https://www.scopus.com/inward/record.url?eid=2-s2.0-85086793055&partnerID=40&md5=29924df1c2b0dfa335bf3212ee4edc0dhttps://scholars.lib.ntu.edu.tw/handle/123456789/546550[SDGs]SDG3Evaluating Scalable Uncertainty Estimation Methods for Deep Learning-Based Molecular Property Predictionjournal article10.1021/acs.jcim.9b00975322431542-s2.0-85086793055WOS:000543717300009