Redox-active ligands as a challenge for electronic structure methods.

Ursula Rastetter Axel Jacobi von Wangelin Carmen Herrmann

Published in: J. Comput. Chem. (2023)

Keyphrases

preprocessing
significant improvement
benchmark datasets
computer vision
machine learning algorithms
empirical studies
pairwise
computational cost
computationally expensive
databases
high dimensional data
knn
digital libraries
optimal solution
website
information systems
information retrieval