Generative Algorithm for Molecular Graphs Uncovers Products of Oil Oxidation.
Yuliia OrlovaAlessa A. GambardellaIvan KryvenKatrien KeunePiet D. IedemaPublished in: J. Chem. Inf. Model. (2021)
Keyphrases
- dynamic programming
- search space
- detection algorithm
- high accuracy
- computational complexity
- times faster
- improved algorithm
- graph structure
- convergence rate
- learning algorithm
- minimum spanning tree
- experimental evaluation
- k means
- preprocessing
- probabilistic model
- input data
- significant improvement
- theoretical analysis
- optimization algorithm
- matching algorithm
- adjacency graph
- graph clustering
- random graphs
- undirected graph
- particle swarm optimization
- recognition algorithm
- simulated annealing
- cost function
- objective function
- clustering algorithm