Assessment of tautomer distribution using the condensed reaction graph approach.
Timur GimadievTimur I. MadzhidovRamil I. NugmanovIgor I. BaskinIgor S. AntipinAlexandre VarnekPublished in: J. Comput. Aided Mol. Des. (2018)
Keyphrases
- graph theory
- weighted graph
- random walk
- power law
- structured data
- directed graph
- bipartite graph
- uniformly distributed
- stable set
- dependency graph
- graph structure
- connected components
- directed acyclic graph
- graph mining
- graph model
- spatial distribution
- link analysis
- graph construction
- graph search
- graph based algorithm
- probability distribution