A knowledge-based approach to generating diverse but energetically representative ensembles of ligand conformers.
Roman J. DorfmanKarl M. SmithBrian B. MasekRobert D. ClarkPublished in: J. Comput. Aided Mol. Des. (2008)
Keyphrases
- knowledge base
- knowledge sources
- domain knowledge
- knowledge extraction
- knowledge management
- wide variety
- knowledge representation
- knowledge discovery
- knowledge sharing
- knowledge acquisition
- prior knowledge
- case study
- data sets
- expert systems
- bayesian networks
- data mining techniques
- domain experts
- information systems
- conceptual model
- high throughput
- human experts
- real world
- neural network