Category:
Organic Chemistry
,
Working Paper
, Title:
Rapid Prediction of Conformationally-Dependent DFT-Level Descriptors using Graph Neural Networks for Carboxylic Acids and Alkyl Amines
, Authors:
Brittany Haas, Melissa Hardy, Shree Sowndarya S. V., Keir Adams, Connor Coley, Robert Paton, Matthew Sigman
Version 1 posted 23 February 2024
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