An algorithm to classify homologous series within compound datasets.
Adelene LaiJonas SchaubChristoph SteinbeckEmma SchymanskiPublished in: J. Cheminformatics (2022)
Keyphrases
- data mining
- association rules
- computational complexity
- clustering method
- detection algorithm
- dynamic programming
- computational cost
- optimization algorithm
- experimental study
- recognition algorithm
- k means
- np hard
- maximum likelihood
- neural network
- worst case
- synthetic and real datasets
- linear programming
- significant improvement
- learning algorithm
- objective function
- cost function
- tree structure
- synthetic and real life datasets
- improved algorithm
- similarity measure
- convergence rate
- memory requirements
- path planning
- matching algorithm
- input data
- ant colony optimization
- preprocessing
- optimal solution
- data structure
- video sequences
- computationally efficient
- expectation maximization
- search algorithm