Toolkit for the Construction of Reproducing Kernel-Based Representations of Data: Application to Multidimensional Potential Energy Surfaces.
Oliver T. UnkeMarkus MeuwlyPublished in: J. Chem. Inf. Model. (2017)
Keyphrases
- database
- data collection
- data structure
- data sets
- data processing
- three dimensional
- prior knowledge
- training data
- image data
- raw data
- data analysis
- data sources
- original data
- missing data
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- multidimensional data
- input data
- data mining techniques
- support vector
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- computer systems
- synthetic data
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- data distribution
- neural network
- range data
- application specific
- databases