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Dataset

Chemical Structure Repository

Description

About

Description

Chemical Structures was initiated in June 2006. It aims to provide a set of organic structures, which includes 3D coordinates, InChi code, molecular weight, melting point, etc. The last release (v2.2.0) contains over 570 structures.

License

BSD license according to SourceForge project page.

Repository

There is a subversion repository at:
http://wiki.cubic.uni-koeln.de/repos/blueobelisk/trunk/structures/

Download & API
chemical-structure-source-2.2.0.tgztgz
Download
chemical-structure-source-2.2.0.zipzip
Download
Sources & license
License
  • bsd-license