Chemistry resources
It has been suggested that this article or section be merged with Wikipedia:WikiProject_Chemicals/Data book. (Discuss)
It has been suggested that this article or section be merged with Wikipedia:WikiProject_Chemicals/Data. (Discuss)
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 |
Free online resources
Databases
Substance and reaction data
- Organic Compounds Database Free compound search by structure
- Chemical catalog Compounds, analytical 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
- Chemical catalogue Compounds search engine
- Chemfinder Compound data (cookie-based accession limit)
- SDBS Spectra (UV/Vis, IR, NMR)
- Bordwell pKa Table pKa values in DMSO
- Organic Synthesis Selected and commented reactions
- WebReactions Search for reactions
- Specialized Information Services (SIS) Division of the National Library of Medicine (NLM))
- ChEBI - Chemical Entities of Biological Interest
- MSDChem (Ligand Chemistry) - Ligands, small molecules and monomers from PDB entries
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)
- Chemical Databases
Journals
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
- Molinspiration Calculation of molecular descriptors and bioactivity score
See also: SMILES, InChI, Molecule editor;
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
- ChemDBsoft Structure drawing and storage
- 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
- Linux4Chemistry An extensive list of open source, freeware and commercial chemistry programs for Linux.
See also: SMILES, InChI, Molecule editor;
Safety
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
References
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;
See also
- Portal:Chemistry Wikipedia chemistry portal