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Retrosynthesis Prediction via Search in (Hyper) Graph
As a semi-template-based method RetroSiG has several advantages.
Use neural networks to recognize students' handwritten letters and incorrect symbols
Correcting students' multiple-choice answers is a repetitive and mechanical task that can be considered an image multi-classification task.
RCsearcher: Reaction Center Identification in Retrosynthesis via Deep Q-Learning
The critical insight in this framework is that the single or multiple reaction center must be a node-induced subgraph of the molecular product graph.
More Interpretable Graph Similarity Computation via Maximum Common Subgraph Inference
Our critical insight into INFMCS is the strong correlation between similarity score and Maximum Common Subgraph (MCS).
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