ChemGrapher: Optical Graph Recognition of Chemical Compounds by Deep Learning.
Martijn OldenhofAdam AranyYves MoreauJaak SimmPublished in: CoRR (2020)
Keyphrases
- regular expressions
- chemical compounds
- graph data
- deep learning
- graph databases
- unsupervised learning
- machine learning
- object recognition
- frequent subgraphs
- graph kernels
- subgraph isomorphism
- graph patterns
- weakly supervised
- feature extraction
- mental models
- pattern recognition
- high dimensional
- drug discovery
- graph model
- biological networks
- data sets
- graph matching
- structured data
- co occurrence
- probabilistic model
- data mining