Chemical Information Sources/SIRCh/Cheminformatics/Data Standards and Standards Groups

SIRCh: Selected Internet Resources for Chemistry Molecular Data Standards InChI the IUPAC International Chemical Identifier inchi.info SMILES Structure Data Format (SDF) Files CT File (MDL) CML (Chemical Markup Language) at SourceForge Chemical Markup Language (CML) (original site) Chemical Markup Language (CML) (original poster) The Chemical MIME Home Page CambridgeSoft CDX for ChemDraw [See the Software Developer's Kit] CXF : chemical eXchange format, version 1.0 / (Chemical Abstracts Service book available from the Indiana University Chemistry Library: QD8.3 .C97 1994) Crystallographic Information File Format (CIF) macromolecular Crystallographic Information File (mmCIF) Encoded Archival Description (EAD) EPrints Glossolalia: a common language for MS data (mzXML: Institute for Systems Biology) MDL's CTfile Formats (See "Download Products") Minimum information about a microarry experiment (MIAME) (MGED Society) MIRIAM - a standard for computational models in biology (Biomodels.net) The NCBI C++ Toolkit netCDF (network Common Data Form) The Open Archives Initiative Protocol for Metadata Harvesting PDB - Protein Data Bank PDB Dictionary Resources PDB File Format SBML - Systems Biology Markup Language SMRS: The Standard Metabolic Reporting Structure Tripos Mol2 file format UniProtKB/Swiss-Prot Documentation VOTable Format Definition Molecular Standards Groups The Blue Obelisk caBIG Compatibility and Certification CiDX: Chemical Industry Data Exchange ERCC - External RNA Control Consortium (National Institute of Standards and Technology) Guidance Documents for NARSTO and U.S. EPA Supersites Program HUPO Proteomics Standard Initiative (Human Proteome Organisation) PSI-MS: Mass Spectromety Standards Working Group (The mzData Standard) IUPAC CPEP Subcommittee on Electronic Data Standards (Successor to JCAMP-DX) littleb.org LSIT Global Institute MicroArray and Gene Expression (MAGE)(MGED Society) MAQC - MicroArray Quality Control Project (US Food and Drug Administration) NISO (National Information Standards Organization) OAIster OMG Life Sciences Research Group Open Archives Initiative Converters of Chemical Structure Formats Open Babel Mol2Mol CLiDE (chemical literature data extraction tool from SimBioSys) ACD/ChemSketch Corina (Molecular Networks)