3D Matched Pairs: Integrating Ligand- and Structure-Based Knowledge for Ligand Design and Receptor Annotation.
Shana L. PosyBrian L. ClausMatt E. PokrossStephen R. JohnsonPublished in: J. Chem. Inf. Model. (2013)
Keyphrases
- drug discovery
- design process
- knowledge based systems
- knowledge acquisition
- pairwise
- neural network
- knowledge base
- active learning
- knowledge engineering
- domain knowledge
- knowledge level
- prior knowledge
- case study
- engineering design
- structured information
- conceptual framework
- design principles
- image annotation
- knowledge sources
- background knowledge
- knowledge management
- software engineering
- knowledge representation
- metadata
- machine learning