QSPR Modeling of Lipid-Water Partition Coefficient by Optimization of Correlation Weights of Local Graph Invariants.
Andrey A. ToropovKunal RoyPublished in: J. Chem. Inf. Model. (2004)
Keyphrases
- partitioning algorithm
- weighted sum
- graph model
- optimization problems
- graph structure
- weighted graph
- vertex set
- graph representation
- graph matching
- correlation coefficient
- optimization process
- directed graph
- optimization method
- graph partitioning
- structured data
- optimal design
- edge weights
- optimization algorithm
- linear combination