C NMR chemical shifts of large molecules using the eXtended ONIOM method at high accuracy with a low cost.
Zhipeng KeJingwei WengXin XuPublished in: J. Comput. Chem. (2023)
Keyphrases
- high accuracy
- low cost
- experimental evaluation
- high efficiency
- detection method
- pairwise
- classification method
- similarity measure
- theoretical analysis
- preprocessing
- genetic algorithm
- computational complexity
- cost function
- support vector
- input data
- objective function
- clustering method
- face recognition
- synthetic data
- image processing
- highly efficient
- neural network
- rapid convergence