Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
Evaluation of machine learning models for the accelerated prediction of Density Functional Theory calculated 19F chemical shifts based on local atomic environments
, Authors:
Sophia Li, Emma Wang, Leia Pei, Sourodeep Deb, Prashanth Prabhala, Sai Hruday Reddy Nara, Raina Panda, Shiven Eltepu, Marx Akl, Larry McMahan, Edward Njoo
Version 1 posted 31 July 2024
118
Downloads