REACTION molecular data

These are the structural (2-dimensional) and thermodynamic information for the database of the REACTION system. The format for thermodynamics are NASA polynomials and the 2d-structural information is in SDF

Identifier
Source https://b2share.eudat.eu/records/bb107937f58b40bbabfdbb1c86608dec
Metadata Access https://b2share.eudat.eu/api/oai2d?verb=GetRecord&metadataPrefix=eudatcore&identifier=oai:b2share.eudat.eu:b2rec/bb107937f58b40bbabfdbb1c86608dec
Provenance
Creator Edward S. Blurock
Publisher EUDAT B2SHARE; http://b2share.eudat.eu
Publication Year 2015
Rights Creative Commons Attribution (CC-BY); info:eu-repo/semantics/openAccess
OpenAccess true
Contact edward.blurock(at)gmail.com
Representation
Language English
Resource Type Other
Format sdf; benson; thm; mol; lst
Size 420.5 kB; 82 files
Discipline Cheminformatics