Springer Publishing

Saturday, 22 November 2014

Chemical reaction databases


Friday, 21 November 2014

Chemical isomer enumeration and structural databases

ENUMERATION of ISOMERS

EnuMol (Enumerating Molecular Structures)
Returns SMILES list of structures; enumerates molecules containing C,H,O,N and benzene ring
http://sunflower.kuicr.kyoto-u.ac.jp/tools/enumol2/


MOLGEN
http://molgen.de/?src=documents/molgenonline