Hash Codes for the Indentification and Classification of Molecular Structure Elements.
Wolf-Dietrich IhlenfeldtJohann GasteigerPublished in: J. Comput. Chem. (1994)
Keyphrases
- molecular structure
- pattern recognition
- classification algorithm
- classification accuracy
- classification scheme
- classification systems
- supervised classification
- automatic classification
- feature vectors
- image classification
- correct classification
- classification models
- pattern classification
- text classification
- machine learning
- support vector machine
- support vector
- feature space
- learning algorithm
- automated classification
- image processing
- feature extraction
- similarity measure
- training data
- object recognition
- feature set
- machine learning methods
- classification method
- artificial neural networks
- unsupervised learning
- model selection
- supervised learning