Advancing molecular graphs with descriptors for the prediction of chemical reaction yields.
Dzvenymyra YarishSofiya GarkotOleksandr O. GrygorenkoDmytro S. RadchenkoYurii S. MorozOleksandr GurbychPublished in: J. Comput. Chem. (2023)
Keyphrases
- chemical reaction
- chemical reactions
- prediction accuracy
- prediction error
- prediction algorithm
- image retrieval
- keypoints
- graph theoretic
- graph structure
- graph representation
- graph theory
- prediction model
- graph matching
- shape descriptors
- feature extraction
- three dimensional
- spanning tree
- image descriptors
- directed graph
- protein structure prediction
- drug design
- object recognition