Chemical graph generators.
Mehmet Aziz YirikChristoph SteinbeckPublished in: PLoS Comput. Biol. (2021)
Keyphrases
- graph representation
- directed graph
- graph theory
- graph structure
- random walk
- structured data
- chemical compounds
- graph partitioning
- neural network
- dependency graph
- directed acyclic graph
- bipartite graph
- case study
- graph matching
- markov chain
- weighted graph
- np hard
- lower bound
- graphical representation
- learning algorithm
- real time