Prediction of Exchange Coupling Constant for Mn12 Molecular Magnet Using Dft+U.
Shruba GangopadhyayArtëm E. MasunovEliza PoalelungiMichael N. LeuenbergerPublished in: ICCS (2) (2009)
Keyphrases
- prediction accuracy
- drug design
- prediction model
- discrete fourier transform
- information exchange
- frequency domain
- protein function prediction
- share information
- prediction error
- machine learning
- fourier transform
- feature extraction
- three dimensional
- prediction algorithm
- protein structure prediction
- data mining
- data sets