BioSM: Metabolomics Tool for Identifying Endogenous Mammalian Biochemical Structures in Chemical Structure Space.
Mai HamdallaIon I. MandoiuDennis W. HillSanguthevar RajasekaranDavid F. GrantPublished in: J. Chem. Inf. Model. (2013)
Keyphrases
- structural features
- complex structures
- chemical reactions
- geometric structure
- spatial structure
- tree structures
- higher dimensional
- search algorithm
- structural properties
- graph structure
- software tools
- multiscale
- parameter space
- structural information
- experimental data
- tree structure
- artificial neural networks
- hierarchical structures
- global structure
- lattice structure
- chemical reaction