Evaluation of the performance of post-Hartree-Fock methods in terms of intermolecular distance in noncovalent complexes.
Jan RezácKevin E. RileyPavel HobzaPublished in: J. Comput. Chem. (2012)
Keyphrases
- methods require
- evaluation criteria
- distance measure
- computational approaches
- computationally expensive
- machine learning methods
- image segmentation
- social networks
- genetic algorithm
- neural network
- preprocessing
- significant improvement
- database
- empirical studies
- decision trees
- qualitative and quantitative
- evaluation metrics