Combination of the two packages
ADRIANA.Code
and SONNIA to provide
algorithms for the search, identification, and optimization of hits
and lead structures
Features
Structure representation on the basis of
automatic internal 3D structure generation
empirical methods for the calculation of quantitative descriptors, such as charge distribution and polarizability effects
calculation of molecular surfaces and surface properties
physicochemcial descriptors
topological autocorrelation
radial distribution function
Data analysis and model building on the basis of
unsupervised and supervised learning methods
classification and clustering of objects
prediction of complex relationships
visualization of the underlying data such as chemical structures
