An Improved Model for Predicting Compound Retrosynthesizability Using Machine Learning.
Mami OzawaNobuaki YasuoMasakazu SekijimaPublished in: BIBE (2022)
Keyphrases
- machine learning
- statistical model
- prior knowledge
- formal model
- bayesian framework
- conceptual model
- cost function
- probabilistic model
- computer vision
- objective function
- theoretical framework
- parameter estimation
- machine learning models
- computational model
- machine learning algorithms
- knowledge representation
- probability distribution
- data model
- data analysis
- computer science
- multiscale
- high level
- feature selection
- artificial intelligence