Bayesian Algorithm for Retrosynthesis.
Zhongliang GuoStephen WuMitsuru OhnoRyo YoshidaPublished in: J. Chem. Inf. Model. (2020)
Keyphrases
- detection algorithm
- objective function
- experimental evaluation
- optimal solution
- simulated annealing
- optimization algorithm
- segmentation algorithm
- computational cost
- k means
- estimation algorithm
- dynamic programming
- convergence rate
- times faster
- computational complexity
- preprocessing
- theoretical analysis
- expectation maximization
- significant improvement
- classification algorithm
- matching algorithm
- cost function
- np hard
- em algorithm
- high accuracy
- clustering method
- probabilistic model
- recognition algorithm