Balloon
july 2009 by hubpin
"Balloon creates 3D atomic coordinates from molecular connectivity via distance geometry and confomer ensembles using a multi-objective genetic algorithm. The input can be SMILES, SDF or MOL2 format. Output is SDF or MOL2. Flexibility of aliphatic rings and stereochemistry about double bonds and tetrahedral chiral atoms is handled. "
chemistry
july 2009 by hubpin
ChemxSeer Project
august 2007 by hubpin
"ChemXSeer is an integrated digital library and database allowing for intelligent search of documents in the chemistry domain and data obtained from chemical kinetics"
chemistry
august 2007 by hubpin