Molecular Hypergraph Grammar with Its Application to Molecular Optimization.
Hiroshi KajinoPublished in: ICML (2019)
Keyphrases
- three dimensional
- optimization problems
- molecular structure
- dna computing
- drug discovery
- van der waals
- higher order
- optimization algorithm
- database
- molecular level
- np hard
- data sets
- optimization method
- constrained optimization
- sequence analysis
- interaction networks
- molecular dynamics
- comparative genomics
- molecular structures