Prediction of pKas of Late Transition-Metal Hydrides via a QM/QM Approach.

Prajay Patel Jiaqi Wang Angela K. Wilson

Published in: J. Comput. Chem. (2020)

Keyphrases

prediction accuracy
prediction algorithm
prediction model
data sets
information retrieval
high prediction accuracy
databases
neural network
learning algorithm
decision trees
special case
prediction error
transition model