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Molecule editor applet and 2D/3D viewer (Marvin), database and complete cheminformatics toolkit (JChem) with API
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265:- 3D Structures of organic molecules with physical properties. This database is released under the
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This page is meant to be a repository for links to sites containing useful chemical data.
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An extensive list of open source, freeware and commercial chemistry programs for Linux.
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275:- Free compound search by chemical name, CAS Number, structure and substructure
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that supports SMILES/SMARTS, InChI, and all common chemical file formats
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The
Edinburgh Collection of Open Software for Simulation and Education
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49:: NMR, IR, Raman, MS, from a Japanese govt. institute, in English.
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Osiris
Property Explorer - Calculation of drug-relevant properties
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Compound, substance, and bioactivity data, advanced search panel
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is a collection of links and references that are useful for
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Calculation of molecular descriptors and bioactivity score
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List of elements, sortable by name, symbol, atomic number
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ESIS (European chemical
Substances Information System)
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Improved Vapour
Pressure and Boiling Point Calculator
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Where to find MSDS on the
Internet (very extensive)
405:Directory of Free Full-Text Journals in Chemistry
462:Molar mass and elemental composition calculator
221:Specialized Information Services (SIS) Division
566:Simple IDEAL Shortcut Distillation Procedures
521:Simple IDEAL Boiling Point Diagram Calculator
250:- Ligands, small molecules and monomers from
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169:Compound data (cookie-based accession limit)
900:ENVIRONMENTAL HEALTH & SAFETY RESOURCES
64:The Chemical Database (University of Akron)
244:- Chemical Entities of Biological Interest
145:Compound, substance, and bioactivity data
93:-related work. This includes free online
792:Sigma-Aldrich Risk and Safety Statements
76:Chemical Profiles (The Innovation Group)
70:Production numbers, industrial profiles
782:MSDS Authoring FAQ (Nexreg Compliance)
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225:National Library of Medicine (NLM))
81:Chemical Information from ImageWave
746:Material Safety Data Sheets (MSDS)
258:http://www.dechema.de/detherm.html
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531:Simplified Binary VLLE Calculator
127:Free compound search by structure
511:Water Vapour Pressure Calculator
211:Selected and commented reactions
139:The free chemistry search engine
912:Category:Free software websites
875:CHIN list of chemical databases
491:WWW Chemical Engineer's Toolkit
327:Dictionary of chemical formulas
18:Knowledge:WikiProject Chemicals
895:Chemical Engineering Resources
536:Binary Nonideal VLE Calculator
430:PubChem online molecule editor
323:Inorganic compounds by element
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777:Cornell University MSDS index
676:Structure drawing and storage
632:List of alchemical substances
740:Emergency Response Guidebook
526:Approximate LLE calculations
444:Structure to image converter
263:Chemical Structures Database
53:MSDS & other safety info
890:Chemistry at Sutton College
682:File format interconversion
636:Knowledge naming convention
541:Simple IDEAL VLE Calculator
307:List of inorganic compounds
119:Substance and reaction data
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864:Knowledge chemistry portal
842:Risk and Safety Statements
838:Material safety data sheet
706:molecule viewer for SMILES
456:Chemical equation balancer
387:digital object identifiers
248:MSDChem (Ligand Chemistry)
133:Compounds, analytical data
125:Organic Compounds Database
438:SMILES to image converter
311:List of organic compounds
157:Compound data and spectra
915:Category:Data management
556:Heterogeneous Azeotropes
501:The Molecular Typewriter
367:scientific search engine
506:Pure Component Databank
163:Compounds search engine
688:Molecule editor applet
586:Ternary Distillation B
581:Ternary Distillation A
546:Non-Ideal x-y Diagrams
155:NIST Chemistry WebBook
36:NIST Chemistry WebBook
880:NIH list of resources
787:MSDS FAQ (MSDSWriter)
420:partition coefficient
109:Free online resources
105:, and various tools.
315:List of biomolecules
217:Search for reactions
686:JME molecule editor
303:CAS Registry Number
235:ChemIDplus Advanced
87:Chemistry resources
30:Physical properties
909:Category:Chemistry
814:Hazardous material
767:www.msdssearch.com
628:IUPAC nomenclature
615:IUPAC nomenclature
551:Azeotrope Databank
393:Chemical Databases
191:Bordwell pKa Table
161:Chemical catalogue
95:chemical databases
850:List of S-phrases
846:List of R-phrases
804:Reference catalog
361:Abstract database
299:Chemical database
273:R&D Chemicals
209:Organic Synthesis
103:computer programs
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648:WebElements
267:BSD license
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167:Chemfinder
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818:Materials
811:See also:
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680:OpenBabel
655:See also:
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371:esp@cenet
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175:Spectra (
114:Databases
91:chemistry
856:See also
698:ChemAxon
694:freeware
668:Software
399:Journals
385:Resolve
137:Chmoogle
486:Tools:
454:Balance
379:Patents
373:Patents
295:GenBank
283:PubChem
254:entries
223:of the
143:PubChem
99:patents
734:Safety
720:SMILES
595:SMILES
472:ECOSSE
460:MMCalc
417:VCCLAB
365:scirus
359:PubMed
339:Patent
331:PubMed
291:PubMed
287:Entrez
177:UV/Vis
834:RTECS
724:InChI
624:IUPAC
599:InChI
389:(DOI)
377:USPTO
347:USPTO
242:ChEBI
16:<
704:Jmol
422:log
204:DMSO
173:SDBS
47:SDBS
383:DOI
343:EPO
335:DOI
252:PDB
185:NMR
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