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

Journal

Journal of Chemical Information and Modeling

Journal Volume

60

Journal Issue

6

Pages

2697-2717

Date Issued

2020

Author(s)

Scalia, G.

Grambow, C.A.

Pernici, B.

Li, Y.-P.

Green, W.H.

DOI

10.1021/acs.jcim.9b00975

URI

https://www.scopus.com/inward/record.url?eid=2-s2.0-85086793055&partnerID=40&md5=29924df1c2b0dfa335bf3212ee4edc0d

https://scholars.lib.ntu.edu.tw/handle/123456789/546550

SDGs

[SDGs]SDG3

Type

journal article