The Chemistry Development Kit 1.5.13 Description:
The Chemistry Development Kit (also known as CDK) is a platform-independent, freely distributed and open source library software implemented in Java and designed especially for structural bioinformatics, cheminformatics and computational chemistry. The project comprises of various useful algorithms and data structures tailored specifically for programmers who want to save a lot of time and effort by reusing code. The Chemistry Development Kit is not designed to be used by end-users. Key features include support for reading and writing chemical data formats, support for rendering chemical structures, support for QSAR (Quantitative Structure–activity Relationship) descriptors, as well as built-in algorithms for supporting the chemical graph theory.