PDDG/PM3 and PDDG/MNDO: Improved semiempirical methods.

Matthew P. Repasky Jayaraman Chandrasekhar William L. Jorgensen

Published in: J. Comput. Chem. (2002)

Keyphrases

significant improvement
preprocessing
benchmark datasets
computational cost
database
data sets
artificial intelligence
multiscale
recommender systems
statistical methods
qualitative and quantitative