Locating Biologically Active Compounds in Medium-Sized Heterogeneous Datasets by Topological Autocorrelation Vectors: Dopamine and Benzodiazepine Agonists.
Henri BauknechtAndreas ZellHarald BayerPaul LeviMarkus WagenerJens SadowskiJohann GasteigerPublished in: J. Chem. Inf. Comput. Sci. (1996)
Keyphrases
- higher order
- data sets
- semi markov
- experimental data
- connected components
- basal ganglia
- principal components
- database
- vector space
- benchmark datasets
- non stationary
- feature vectors
- raw data
- heterogeneous data
- heterogeneous networks
- sampling methods
- topological properties
- synthetic and real datasets
- feature extraction
- feature selection
- topological spaces