Surge: a fast open-source chemical graph generator.
Brendan D. McKayMehmet Aziz YirikChristoph SteinbeckPublished in: J. Cheminformatics (2022)
Keyphrases
- open source
- open source software
- graph representation
- source code
- structured data
- graph theory
- directed graph
- graph matching
- weighted graph
- case study
- graph theoretic
- adjacency matrix
- core components
- graph mining
- data generator
- chemical compounds
- graph structures
- graph construction
- graph data
- graph structure
- random walk