Learn More Molecules Substructures and Paths

SMILESTM Toolkit Supporting molecular objects and the SMILESTM language The SMILESTM Toolkit is a chemical information programming library that supports a number of utility objects (streams, sequences, paths, substructs). It used the most current SMILESTM language providing full support for organic, inorganic, isotopic, and general (not limited to tetrahedral) chiral specifications, including partially specified chirality. Objects supported by this Toolkit include: Atom - object representing an atom in a molecule Bond - object representing a bond in a molecule Cycle - object representing a ring in a molecule Integer - object representing an integer Molecule - object representing a molecule Real - object representing a real (floating-point) number Sequence - object holding other objects in a particular order Stream - object used to enumerate constituents of another object String - object representing a string Substruct - object representing a substructure This Toolkit can be used to: Molecular analysis and manipulation Parsing of SMILESTM Generation of unique SMILESTM and unique isomeric SMILESTM SSSR (Smallest Set of Smallest Rings) analysis Generic functionality (objects, error handling) Prerequisite for all other toolkits