"The price of greatness is responsibility." Sir Winston Churchill

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Chemistry resources is a collection of links and references that are useful for chemistry-related work. This includes free online chemical databases, publications, patents, computer programs, and various tools.

Contents [hide] 1 Free online resources 1.1 Databases 1.1.1 Substance and reaction data 1.1.2 References 1.2 Online tools 1.3 Nomenclature 1.4 Periodic tables 1.5 Software 1.6 Safety 1.6.1 Material Safety Data Sheets:MSDS 2 See also 3 External links

 

Free online resources

 

Databases

 

Substance and reaction data

• Chmoogle The free chemistry search engine
• PubChem Compound, substance, and bioactivity data
• NCI Database Compound, substance, and bioactivity data, advanced search panel
• NIST Chemistry WebBook Compound data and spectra
• Chemfinder Compound data (cookie-based accession limit)
• SDBS Spectra (UV/Vis, IR, NMR)
• Bordwell pKa Table pK_a values in DMSO
• NIH ChemIDplus
• Organic Synthesis Selected and commented reactions
• WebReactions Search for reactions
• ChemIDplus Advanced (Specialized Information Services (SIS) Division of the National Library of Medicine (NLM))

"See also:" PubChem, Entrez, PubMed,GenBank, Chemical database, CAS registry number, List of inorganic compounds, List of organic compounds, List of biomolecules, List of minerals, Inorganic compounds by element, Dictionary of chemical formulas, PubMed,DOI, Patent, EPO, USPTO;

 

References

• PubMed Abstract database
• esp@cenet Patents
• USPTO Patents
• DOI Resolve Digital Object Identifiers (DOI)

 

Online tools

• VCC-LAB logP, solubility, data format conversion, molecular descriptors
• PubChem online molecule editor that supports SMILES/SMARTS, InChI, and all common chemical file formats
• Daylight Depict SMILES to image converter
• CACTVS at NCI Structure to image converter

"See also": SMILES, InChI, Molecule editor;

 

Nomenclature

• IUPAC nomenclature

"See also": IUPAC, IUPAC nomenclature ,List of pre-scientific substances, Wikipedia naming convention;

 

Periodic tables

• WebElements Periodic table

"See also": Periodic table, List of elements by name, List of elements by symbol, List of elements by atomic number;

 

Software

• OpenBabel File format interconversion
• JME molecule editor Molecule editor applet
• ACD/ChemSketch freeware
• ChemAxon Molecule editor applet and 2D/3D viewer (Marvin), database and complete cheminformatics toolkit (JChem) with API
• Jmol molecule viewer for SMILES
• Linux for chemistry A very extensive list of open-source chemistry programs for Linux.

"See also": SMILES, InChI, Molecule editor;

 

Safety

• Emergency Response Guidebook

 

Material Safety Data Sheets:MSDS

• Where to find MSDS on the Internet (very extensive)
• www.msdssearch.com
• SIRI MSDS index
• Cornell University MSDS index
• MSDS Authoring FAQ (Nexreg Compliance)
• MSDS FAQ (MSDSWriter)
• Sigma-Aldrich Risk and Safety Statements

"See also": Hazardous material, Materials, NSC number, UN number, EINECS number, RTECS, Material safety data sheet, Risk and Safety Statements, List of R-phrases, List of S-phrases;