Conformational searching methods for small molecules. I. Study of the sybyl search method.
A. K. GhoseE. P. JaegerP. J. KowalczykM. L. PetersonAdi M. TreasurywalaPublished in: J. Comput. Chem. (1993)
Keyphrases
- search methods
- significant improvement
- preprocessing
- synthetic and real images
- hybrid method
- computational cost
- classification method
- alternative methods
- retrieval method
- search strategy
- exhaustive search
- search mechanism
- methods outperform
- methods require
- machine learning methods
- experimental study
- similarity measure
- empirical studies
- dynamic programming
- gold standard
- pairwise
- linear regression
- high accuracy
- heuristic methods
- computational complexity
- classical methods
- benchmark data sets
- support vector machine
- segmentation method
- search strategies
- clustering method
- reconstruction method
- interpolation method
- search algorithm
- statistical methods
- information retrieval