Binding mode similarity measures for ranking of docking poses: a case study on the adenosine A2A receptor.
Andrew AnighoroJürgen BajorathPublished in: J. Comput. Aided Mol. Des. (2016)
Keyphrases
- similarity measure
- ranking algorithm
- learning to rank
- ranking functions
- similarity computation
- link analysis
- similarity scores
- web search
- mutual information
- hiv protease
- similarity function
- feature vectors
- distance measure
- case study
- similarity assessment
- semantic similarity
- test bed
- similarity metrics
- scoring functions
- euclidean distance
- question answering
- user feedback
- similarity metric
- neural network