Algorithm for the Pruning of Synthesis Graphs.
Gergely Zahoránszky-KöhalmiNikita LysovIlia VorontcovJeffrey WangJeyaraman SoundararajanDimitrios MetaxotosBiju MathewRafat SaroshSamuel G. MichaelAlexander G. GodfreyPublished in: J. Chem. Inf. Model. (2022)
Keyphrases
- search space
- significant improvement
- computational cost
- matching algorithm
- theoretical analysis
- minimum spanning tree
- dynamic programming
- cost function
- experimental evaluation
- expectation maximization
- segmentation algorithm
- optimization algorithm
- preprocessing
- computational complexity
- objective function
- detection algorithm
- similarity measure
- spanning tree
- graph structure
- convergence rate
- graph isomorphism
- clustering method
- input data
- high accuracy
- worst case
- optimal solution