FREE / OPEN Chemistry Data
- BRENDA, the Comprehensive Enzyme Information System (Free/Open): https://www.brenda-enzymes.org
Data on enzyme function extracted directly from the primary literature with links to other enzyme information sources. - ChemSpider (Free/Open): http://www.chemspider.com
Web based search engine of chemical structures and associated property information with links to other online chemical data services. - EPA Chemistry Dashboard (Free/Open): https://comptox.epa.gov/dashboard
Suite of computational toxicology databases and web apps to compile chemical data and support evaluation for potential health risks. - MassBank: consortium of public repositories of high-resolution mass spectral data in the life sciences. •
- MassBank Europe (Free/Open): https://massbank.eu/MassBank/Search
- MassBank Japan (Free/Open): http://www.massbank.jp/Search
- MassBank of North America (Free/Open): https://mona.fiehnlab.ucdavis.edu
- MatNavi (Free/Open): http://mits.nims.go.jp/index_en.html
Several materials databases including measured and predicted thermodynamic and structural properties. - NIST Chemistry Webbook (Free/Open): http://purl.access.gpo.gov/GPO/LPS87332
•Thermochemical, spectral and basic property data for small organic and inorganic compounds. - OrgSyn (Free/Open): http://www.orgsyn.org
Detailed and carefully checked procedures for the synthesis of organic compounds. - Protein Data Bank (Free/Open): https://www.rcsb.org
Repository of macromolecular structural data, including proteins and nucleic acids. - PubChem (Free/Open): https://pubchem.ncbi.nlm.nih.gov/search
Chemical substances, compound structures and bioactivity data compiled from many US and international agencies and cross-liinked from PubMed. - SpectraBase (Free/Open): https://spectrabase.com
Fast text searchable access to hundreds of thousands of free NMR, IR, Raman, UV-Vis, and mass spectra. - Spectral Database for Organic Compounds (Free/Open): https://sdbs.db.aist.go.jp/sdbs/cgi-bin/cre_index.cgi?lang=eng
Spectral database for organic compounds including EI-MS, FT-IR, proton NMR, 13C NMR, Raman, and ESR.
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