Conformator: A Novel Method for the Generation of Conformer Ensembles.
Nils-Ole FriedrichFlorian FlachsenbergAgnes MeyderKai SommerJohannes KirchmairMatthias RareyPublished in: J. Chem. Inf. Model. (2019)
Keyphrases
- experimental evaluation
- computational cost
- segmentation method
- synthetic data
- detection method
- high accuracy
- clustering method
- computational complexity
- generation method
- high precision
- cost function
- preprocessing
- computationally efficient
- main contribution
- medical images
- support vector machine
- significant improvement
- cross validation
- objective function