Prediction of Aquatic Toxicity: Use of Optimization of Correlation Weights of Local Graph Invariants.
Andrey A. ToropovT. Wayne SchultzPublished in: J. Chem. Inf. Comput. Sci. (2003)
Keyphrases
- optimization algorithm
- prediction accuracy
- global optimization
- optimization problems
- edge weights
- optimization process
- bipartite graph
- graph representation
- linear combination
- directed graph
- chemical compounds
- weighted graph
- highly dynamic
- prediction algorithm
- graph partitioning
- relative importance
- pairwise
- graph structure
- graph theory
- prediction model
- connected components
- graph model
- spanning tree
- evolutionary algorithm
- parameter optimization
- artificial neural networks
- neural network
- weight matrix