Chemical Descriptors Library: Vision

Vision

CDL's generic nature gives a powerful programming interface to the user interested in writing chemical information applications.
Parameterized molecular properties, property accessors and iterators offer full flexibility to the user.
The availability of graph and cheminformatics algorithms, and the simplistic nature of CDL design, helps the user to quickly develop new cheminformatic functionalities.

At present, CDL provides the following functionalities :

Support for SMILES and MDL's Mol (SDF) molecular formats
Fingerprints
Fast substructure search
Smarts
Maximum common edge subgraph (Maximum overlaping set)
Topological pharmacophores
Smiles canonization
Reduced molecule concept
Fragmentation algorithms
Partial charges calculation
Comprehensive hydrogen handling
Chemical Algebra for molecular transformations
A variety of molecular descriptors
Clustering algorithms, similarity measures