Knowledge-guided docking: accurate prospective prediction of bound configurations of novel ligands using Surflex-Dock.
Ann E. ClevesAjay N. JainPublished in: J. Comput. Aided Mol. Des. (2015)
Keyphrases
- drug design
- lower bound
- expert systems
- knowledge acquisition
- knowledge transfer
- knowledge sources
- prediction accuracy
- upper bound
- knowledge discovery
- high quality
- information systems
- high accuracy
- real time
- conceptual model
- human experts
- prediction model
- prediction algorithm
- learning algorithm
- domain knowledge
- prior knowledge
- higher level
- high precision
- knowledge base
- highly accurate
- prediction error