Automated reaction database and reaction network analysis: extraction of reaction templates using cheminformatics.
Pieter P. PlehiersGuy B. MarinChristian V. StevensKevin M. Van GeemPublished in: J. Cheminformatics (2018)
Keyphrases
- network analysis
- database
- chemical reaction
- databases
- text mining
- social network analysis
- information extraction
- database management systems
- reaction diffusion
- complex networks
- machine learning
- dynamic networks
- information networks
- graph clustering
- graph mining
- decision trees
- link prediction
- database systems
- data model
- pairwise
- data analysis
- objective function