Ambit-SMIRKS: a software module for reaction representation, reaction search and structure transformation.
Nikolay T. KochevSvetlana AvramovaNina JeliazkovaPublished in: J. Cheminformatics (2018)
Keyphrases
- chemical reaction
- test data generation
- search efficiency
- search strategies
- search space
- software development
- computer systems
- search tools
- chemical reactions
- hierarchical tree
- search algorithm
- search strategy
- search methods
- software tools
- graph representation
- structural information
- graphical representation
- user queries
- test cases
- software modules
- source code
- space reduction
- information systems