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You are in the xChem directory. This section contains my publications and a list of my favorite Chemistry related links. The page is still under construction and may have deficiencies in design or navigation structure and may contain dead links, incomplete or outdated contents or code for test purpose only. 

Wolfgang Schaefer, September 29, 2002

Last update: 2018-02-19

Category: Education

Subcategory: Massive Open Online Courses (Moocs)

AuthorLinkDescriptionResources / Evaluation
(English, German)
Part of e-learning suite Chemgaroo. 1700 lessons, 900 exercises, 25000 media elements
iversity / Prof. Dr. Fröba (Uni Hamburg) Crystallograpy
The fascination of crystals and symmetry. This MOOC explains the basic building blocks of crystals, their symmetrical structure and introduces free software for crystal structure sign-up with email or facebook

Subcategory: Periodic table of elements

Author Link Description Resources / Evaluation
Mark Winter, University of Sheffield (GB), Department of Chemistry
Interactive PTE, professional and school edition, pictures and plenty of data, history, production, etc.  
Ivan Noels
Interactive and printable version, pictures of most elements, basic data  
Robert Brenner, Tokyo
PTE for Pocket PC with plenty of popup information after tap on table. The Homepage of the author contains mainly astronomic software for PocketPC and pictures from Okinawa. Pocket PC (Compaq iPAQ or similar, StrongARM, MIPS or SH3) with Windows CE or Windows PocketPC 2002; size: 1.2 MB
Yinon Bentor Chemical Elements
Interactive chart with selectable display parameter such as name, atomic mass or melting point  
IUPAC IUPAC table official chart authorized by IUPAC  
G. P. Moss, Queen Marry University of London IUPAC table (b/w) with atomic mass  
American Elements Interactive PTE with description (appearance, physical data), research literature and information about the applications (including nanotechnology) of the element in several handling forms and some compounds. Data are limited to products offered by American Elements for sale (covers approximately 70% of the PTE). Page contains some dead links.
Lenntech (NL) periodic chart
Interactive PTE with photos, basic data, health effects and environmental effects of the elements and some chemical compounds.  
University of Nottingham Periodic Table of Videos
Interactive PTE with explanatory videos for all elements.  

Subcategory: Experimental Chemistry

Author Link Description Resources
Peter Wich / Germany
Collection of experiments including information about chemicals, equipment and safety instructions; collection of links  
Reinhard Nesper et. al., ETH Zürich and CCI-Project (Creative Chemistry on the Internet)
Lecture Inorganic Chemistry I + II: 200 experiments with video and explanation Real, Quicktime or AVI (only online)
Alfred Meixner et. al., GH Siegen pc.chemie.uni-siegen
41 spectacular experiments of the lecture "General Chemistry" (eg. Zn+H2O2 or Na+H2O) MPEG-1 and GIF (download)
Chem 101 (a students' project)
Some demonstrations as hydrogen-balloon, colored flames, time reactions, electrochemistry. Quicktime
Central Michigan University
Demonstrations with good verbal explanations. Quicktime (very small format)
University of Illinois
Small collection of videos. AVI or Quicktime
J. Gasteiger et. al., University of Erlangen-Nürnberg, Computer-Chemistry-Center
Ten experiments for lecture "Chemistry for Medical students", eg. spectacular Thermit reaction  Real (download)
Gregor Fels et. al., University of Paderborn, Institute for Organic Chemistry, VSC project (Vernetztes Studium Chemie)
34 videos for Organic chemistry with good quality and verbal explanation Real
(only online)
The Chemistry Collective by National Science Foundation Irydium Virtual Lab
Virtual laboratory for simulation of lab experiments Java J2SE JRE

Subcategory: Physical Chemistry

Author Link Description Resources
Guenter Gauglitz, University of Tuebingen, Institute for Physical and Theoretic  Chemistry, VSC project (Vernetztes Studium Chemie)
Interactive simulations with phase diagrams, including McCabe-Thiele diagram Macromedia Shockwave
University of Technology Braunschweig / Germany
PC1, PC2, PC3, PC4, PC5
Script for university course "Physical Chemistry".   

Subcategory: Organic Chemistry





Cooperation of German universities / DBU

NOP Online

Neues (nachhaltiges) Organisch-Chemisches Grund-Praktikum

Javascript and Chime Plugin (information to Chime on NOP homepage)

Prof. Dr. H. Mayr, LMU (University) Munich

Poster (pdf)

Nucleophilicity and Electrophilicity charts and reactivity database


IMS Health , Fabian Weber , G. SedelmeierPosterTop 200 pharmaceutical substances with structuresavailable for academic use after login with GDCh membership number

Subcategory: Physics





Wolfgang Schäfer

Color Triangle

Triangle diagrams for additive and subtractive color mixing


Physics Education Research Group, Kansas State University
20 Simulations for non-science students: Laser, spectroscopy, tunnel effect, luminescence, ... Macromedia Shockwave
Schulphysik (privat)
Multimedia and interactive content and collection of links for educational use (e.g. optical simulation) Java applets
DESY KworkQuark
Information about quantum physics for students and teachers with selectable degree of difficulty, including small computer game  

Bernd Thaller / University of Graz (Austria)

Award-winning project to make quantum mechanics visible


Subcategory: Mathematics





Web Mathematica CALC 101
Step-by-step derivatives, linear algebra, matrix algebra, multiplication and division of polynoms Free service (except step-by-step integrals)
TU Clausthal Java Applets
Java-Applets for visualization of statistic and stochastic topics such as interactive plots of probability distribution functions. Java
University of North Carolina Regression models (English) University course for regression techniques  
Universität Karlsruhe, Institut für StochastikLogistische Regression
Exercise to logistic regression using data of the spaceshuttle Challenger explosion. 
NEDARC (National Emergency Medical Services for Children Data Analysis Resource Center)  Analyzing data
Using data (collecting, validation, analyzing, advanced statistical tools). Method is close to Six Sigma.  
Jürgen Meier 3D (Deutsch) 3D-graphics and mathematics.   
The R Foundation (Ross Ihaka and Robert Gentleman, University Auckland) The R Project (English) Programming language for statistical evaluations, published in 1995. GNU R runs on all common platforms. Further information:  Introduction, Graph gallery, Extensions (User Examples) , Source Code under GNU license

Subcategory: Six Sigma and Lean




Resources Six Sigma Material (English) Introduction to DMAIC Six Sigma projects and tools  
The OEE Foundation OEE Industry Standard (English) Definitions and explanations to the tool "Overall Equipment Effectiveness" (OEE) as part of the Leam toolbox  
Arno Koch, Blom Consultancy (OEE Toolkit) OEE Industry Standard (English/Deutsch) Definitions and explanations to the tool "Overall Equipment Effectiveness" (OEE) as part of the Leam toolbox.  also available as PDF document (English)
Viktor Bitter OEE Help Page (Deutsch) Tutorial for introduction and improvement of OEE measurement  
Solarsoft (previously: Informance) OEE Benchmark (English) Benchmark study of 725 global manufacturing operations (see Summary in Factory Maintenance)  
Citect, in: The Engineer OEE Key (English) OEE key to improving plant performance. Article based on edited report by Citec  
Shire Systems OEE (English) Slideshow "OEE -  Sweating Manufacturing Assets"  
Strategos International Lot Sizing (English) Lot sizing and Lean manufacturing Strategy  
Ideation International Inc.AFD on Ideationtriz (English)Introduction to Anticipatory Failure Determination (AFD) 
Triz OnlineNew Triz tools: AFE (Deutsch)Kurze Einführung in die Antizipierende Fehleranalyse (AFE) / Short introduction to AFD 
Ford Motor Co. + Ideation Int; Triz JournalApplication of AFD (English)V. Proseanic, D. Tananko, S. Visnepolschi: Application of AFD to an Engine Concern 
Ideation International Inc.AFD Presentation (English)50 illustrated and entertaining pages on Anticipatory Failure Determination (Russian: Subversive Analysis)Acrobat Reader (PDF document)
Kaizen-Institut Mizusomashi (Deutsch) Manfred Pfeiffer: Der Mizusomashi als Schlüsselfigur in der Shopfloor-Logistig; in: Kaizen-Forum 3/2006  
Werner Stangl GehirnRechtsLinks (Deutsch) Rechte vs linke Gehirnhälfte. Hinweise zur Visualisierung. Konzentrationsübung.  
Nobuyuki Kayahara
Werner Stangl

Michael Bach
Silhouette Illusion
Dancer (English)
Illusion of spinning dancer (alleged test for preference of brain hemisphere)

Angeblich Test fur Verwendung von linker oder rechter Gehirnhälfte.

Animated GIF activated

Animierte GIF aktiviert

Subcategory: Others





Spektrum der Wissenschaft Verlagsgesellschaft m.b.H. Science Shop Shop for scientific literature, equipment, decorative articles and toys  


MDL Crossfire Commander (to retrieve information from Beilsein information system) with AutoNom 2000 add-in  (automatic naming of chemicals)

free download after registration (not yet tested)

Lehrer-Online Naturwissenschaften
Internet Service for teachers. Learning tools, digital media, animations.  

Sven Sommer, Flensburg, Germany


Media portal with scientific and educational content.

Biomed Central Chemistry Central Journal (English) Open-Access-Journal for chemistry and related areas. All articles are indexed by PubMed, Scopus, CAS, Web of Science and Google Scholar. Published by Chemistry Central

free access, registration required

Biomed Central JCheminf (English) Journal of Cheminformatics, Open-Access-Journal for computer applications related to chemistry. Published by Chemistry Central

free access, registration required

Creos Lernideen und Beratung (in cooperation with BASF, Evonik and other companies) Creos Elch (German) Interactive learning modules for professional education in the chemical and related industry. Modules available for chemical plant analytics, separation processes, preparative organic chemistry, piping technology and quality assurance. Modules from 595 to 2975 Euro, package from 2677 to 12090 Euro (May 2010)
Dr. Beyer Internet-Beratung Analytik-News (German) Internet portal for labs with focus on analytical chemistry. Includes job offers, market for used lab equipment, discussion board and more than 8000 links to suppliers, laboratories, institutes and literature. free access, optional registration for newsletter


Category: Databases

Classification of databases

Source: Nachr. Chem. 54, 2006, 989 and 1096

Subcategory: Meta databases

Publisher Link Description Resources
Universität Regensburg DBIS
Datenbankinformationssystem = data base information system. List and search machine for scientific data bases (thereof over 400 in the area of chemistry) Free access

Subcategory: Database Hosts

Author Link Description Resources
Chemical Abstract Service / FIZ Karlsruhe STN
Database catalogue of the Fachinformationszentrum (FIZ) Karlsruhe with hundreds of databases, including the famous Chemical Abstracts file mostly paid service
Chemical Abstract Service / American Chemical Society Scifinder and Scifinder Scholar (English) SciFinder® is a research discovery tool for exploring the CAS databases that contain literature (>10000 sources, from 1907, partially from 19th century) from many scientific disciplines including biomedical sciences, chemistry, engineering, material science, agricultural science, and more. 73 million entries, 73 million substances, 67 million reactions. Access to experimental data of 6 journals of the American Chemical Society and patents. Conversion of SMILES or INCHI strings into 2-dimensional structures. Thesaurus integrated, but no trunctation. paid service
Thomson Corp. Dialog Bluesheets (English) Catalogue with over 450 databases from a broad scope of disciplines mostly paid service

Subcategory: Literature databases

full list available on

Author Link Description Resources
Thomson Corp. SCI (Science Citation Index)
fact sheet
The Science Citation Index (SCI®) contains bibliographic information and cited references from 3,700 journals covering more than 100 disciplines. The Science Citation Index Expanded™ format, available through the Thomson Reuters Web of Science® and the online version, SciSearch®, cover more than 5,800 journals from 1900. 2.6 million substances and 1 million reactions. Index search for authors and journal names. Integratad thesaurus for british and US English. Supports hot keys *, ? (1 character) and $ (1 or no character). Online access also via DIALOG, DIMDI, and STN (see section "database hosts"). paid service for registered users
Elsevier B.V. Scopus Info (English) Abstract and citation database of research literature (20000 journals and books from 1966, partly from 1823) and web sources. Accepts * and ? (1 character) hot keys. free (after registration) and paid services
Südwestdeutscher Bibliotheksverbund SWB
(DE, EN, FR, ES)
Onlinekatalog des Südwestdeutschen Bibliotheksverbundes (1200 Bibliotheken in Baden-Würtemberg, Saarland und Sachsen) free access
Universität KarlsruheKVK
(German, English)
Karlsruher Virtueller Katalog: Metakatalog mit 500 Millionen Medien (deutsche Verbundkataloge, nationale Kataloge, Buchhandelskataloge)free access
Deutsche NationalbibliothekGND
(German, English)
Normdatei GND für deutschsprachige Begriffe, Synonyme, Abkürzungen, Ober- und Unterbegriffe zur inhaltlichen Literaturerschließung. 
Universität MünsterLotse
Part of Toolbox. Guide for literature search with links to special and meta search engines. Assessment of reliability and quality of literature search. 

Subcategory: Structure databases

Author Link Description Resources
Frederick / Bethesda Collaboration NCI
Chemical structure lookup for 250'000 structures of organic and biochemical compounds free access
Symyx ChemInform RX (English) 1 million chemical reactions paid service
InfoChem SPRESI ChemReact (English) 3.6 million chemical reactions and 4.5 million structures in the field of organic chemistry paid service (free trial)
CambridgeSoft Corp. ChemFinder
ChemFinder database (structures, physical properties, hyperlinks; free) and Organic Syntheses Searching (free) + paid services free and paid services
Cambridge Crystallographic Data Center (CCDC) WebCSD (English, only with license) Online portal of Cambridge Structural Database (500'000 organic and metal organic crystal structures). See also CSD product page and WebCSD product page (with free teaching and demonstration database) paid service
Research Collaboratory for Structural Bioinformatics (RCSB) PDB
Protein Databank with crystal structures of 29'000 proteins and nucleic acids free access
25 million compounds, 53 million sequences of biopolymers; access through SciFinder or STN paid service
500'000 documents with 9 million chemical reactions in the organic chemistry; access through SciFinder or STN paid service
 Thieme Science of Synthesis
Full-text resource for methods in synthetic organic chemistry. Integrated access to Houben-Weyl. paid access, free trial

Subcategory: Fact databases

Author Link Description Resources
Springer-Verlag Landolt-Börnstein
Physical and physical-chemical data for 150'000 inorganic and organic compounds. For key word search use springer link with prefix "landolt+".  free access, downloads with fees
On STN / FIZ Karlsruhe. Set of 500 themochemical data of 20000 chemical compounds. 440000 data tables. 57000 literature references. paid access
US National Institute of Standards and Technology NIST database catalog
Collection of more than 70 fact databases. free access
US National Institute of Standards and Technology NIST Webbook
Physical and spectroscopic data for chemical compounds free access
US National Center for Manufacturing Sciences Solv-DB
Physical and chemical data of 321 solvents. free access
Saarland University, Germany  Nanodata (German, English, French) Database and networking platform for nanotechnology, e.g. products, processes, suppliers, traders, research institutes  
Wiley SpecInfo
Spectral database with NMR, IR and/or MS for 150000 organic compounds paid access (free trial available)
National Institute of Advanced Industrial Science and Technology (AIST), Japan SDBS
(English, Japanese)
Spectral database with MS, NMR, IR, ESR and/or Raman spectra for 32000 organic compounds free access
1.5 million IR, UV/VIS, Rama and Stadtler spectra Chemical structure drawing (ChemWindow).Paid access; free access for students and teacers after registration.
Thermophysical properties database for pure substances and mixtures (PVT data, phase equilibrium data, surface properties, optical properties; including data measured in former DDR and UdSSR, literature data back to 1919)paid suscription to view full content
Engineering Village / Institute of Engineering and TechnologyInspec
5000 journals and books for physics, electronic and computing. from 1969. 13 million entries. Integratad thesaurus, supports hot keys *, ? (1 character) and $ (1 or no character).paid access
(English, German, French))
Reference databas for technical norms and regulations from 23 countries. 1.3 million entries.paid annual license
Worldwide protein database with macromolecular structural datafree access
US National Library of MedicinePubMed (English)Free version of Medline, a medical subjects headings (MeSH)-indexed bibliographic database of medical publications (5200 journals from 1948). 23 million entries. Supports * hot access
Ovid SPBiosis Previews
Part of Thomson Reuters Web of Science. More than 6500 journals from 1924 in the area of biology, biomedicine and biochemistry. 13 million entries. Integrated thesaurus. Supports hot keys *, # (1 character) and ? (1 or no character).paid access

Subcategory: Information systems

Author Link Description Resources
ElsevierReaxys (Beilstein and Gmelin; English)Database system as successor of Crossfire Commander for searching of Beilstein (physical and chemical data of 9.3 million mainly organic compounds and 2 million literature references), Gmelin (physical and chemical data of 2.2 million mainly inorganic and metal organic componds, 1.7 million chemical reactions and 1.2 million literature references) and Patent Chemistry. Literature from 1771, 21 million compounds (partly with physical-chemical properties), 35 million reactions,  4 million publications (incl. 0.7 million patents), synthesis planner. Includes Java applet MarvinSketch (from Chemaxon) as structure editor. Index search and * hot key.Licence (over IP), anonymous access possible
Chemistry Community: 350 journals, 15 databases, Beilstein abstracts (since 1980), NIST Chemistry WebBook (physical and chemical data), IUPAC name converter, Computational-Chemistry-Toolkit
Meta database, ChemACXNet (catalogues of 30 major supplier), ChemFinder database (2D/3D structures and substance data), Synthesis planning with full access to John Wiley & Sons Organic-Synthesis-Series  
  Chemspider (English) Chemical search engine based on meta database with pointers to all free and some commercial structure-, literature and fact databases related to chemical information.  open access
University of Regensburg (Germany)
Access to 1510 online journals and 3716 journals with full-text service in Internet (124 chemistry related)
Search engine and register for chemical information
Register for chemistry related links  
Commodity.comChemistry Links
Collection of usefull and entertaining chemistry links, periodic table of elements.
University of Berlin (Germany)
Scientific documents and information  
European Bioinformatics Institute (EBI) in Cambridge ChEBI (English) Chemical Entities of Biological Interest (ChEBI) is a freely available dictionary of molecular eneities focused on 'small' chemical compounds. open access
The Science Lab The-Science-Lab
Chemistry resources - directory of Chemistry related websites  
YahooCatalogue Chemistry
Catalogue information to chemistry and related sciences.
Compendium in organic synthesis. Weekly journal, CIRX reaction library with 1.8 million reactions and covers from 100 journals (including web-based Rxn reaction finder). Database SPORE for solid phase organic reactions.paid suscription (30 days free trial)
WileyWiley Online Library
Integrated access to over 4 million articles from 1500 journals, over 14,000 online books, and hundreds of reference works, laboratory protocols and databases covering life, health and physical sciences, social science, and the humanities. Includes now also scans of Chemischer Informationsdienst (1970-1990).Partially available with Open Access

Subcategory: Encyclopedias and Handbooks

Author Link Description Comment
(German / English)
Free public edited knowledge database. Great concept and absolutely free, but still incomplete and of inhomogeneous quality
  Organic chemistry
Synthesis planning tools, reaction database (including named reactions), data for 100'000 chemicals. (not yet tested)
Named reactions (not yet tested)
Abbreviations, unit converter, etc, (not yet tested)
Handbook for scents (not yet tested)
 Thieme  Römpp
(German, English)
 Encyclopedia for chemistry with 62000 entries, 200000 cross references and 12000 structures.  Paid access (also for one-time access), free trial available.

Subcategory: Patents

Author Link Description Comment
German Patent and Trademark Office DEPATIS
(German, English)
German patent information system free
European Patent Office Espacenet
(German, English, French)
Full text European patents, 50 million entries free
US Patent and Trademark Office USPTO
Full text US patents, 4 million entries free
Thomson Corp. Derwent Innovations Index (English) Patent records from Derwent World Patents Index and patent citation information from Patents Citation Index paid service
Questel Questel-Orbit (English) Several IP databases, such as QPat, (end user patent searching), FamPat (patent families) and CaTaMaran (trademarks) paid service

Subcategory: Chemicals

Author Link Description Comment
Data for chemicals (not yet tested)
Data for chemical elements (not yet tested)
Chemidex Supply info of chemicals for formulators requires free registration

Subcategory: Safety and Safety data

Author Link Description Comment
US National Library of Medicine TOXNET
Tox- and safety data from several databases free access, slow but good
Dr. Lehmann / FU Berlin TLehmann (German) All safety relevant information for chemistry at university institutes, including multimedia material for safety instructions  
BG Chemie BG-chemie (German) Guidelines, toxic properties of chemicals, magazine "Sichere Chemiearbeit"  
Merck chemdat.merck Safety information from the famous Merck catalogue  
Uni Giessen k-MED Safety instruction (Login: kmed.gast, Password: kmedgast) Symbols and labels  
Storck-Verlag Hamburg Collection of links related to hazardous goods  
Magazine "Gefährliche Ladung" (Storck-Verlag) Accident report data base GUNDI for hazardous goods  
IFA (Institut für Arbeitssicherheit der Deutschen Gesetzlichen Unfallversicherung)Gestis
(German, English)
Information for safe handling of dangerouus goods (8500 substances). Includes physical and chemical data and official classifications including R and S phrases of German Gefahrstoffverordnung.Free access, also as app for iPhone and iPad

Subcategory: Search engines

Author Link Description Comment
BMBF Forschungsportal Reseach in 12 million science related websites (public and deep web)  
German government Bildungsserver Catalog of websites related to education, science or research  
  Scirus Search engine for science related contents Search engine for educational material
Search engine and register for chemical information  
   Scirus  (add link) Search engine only for scientific information (domains .edu, .org,, .com, .gov, Pubmed database, database, dissertations)  
   Google Scholar  (add link) Search engine for scientific literature (books, journalsm patents)  


Category: Research

Subcategory: Porphyrins and Phthalocyanines

Author Link Description Comment
SPP Society Homepage
Homepage of Society of Porphyrins and Phthalocyanines  
Journal of Porphyrins and Phthalocyanines  

Subcategory: Science Networking

Author Link Description Comment
Network for natural science and humanities. Utilizes semantic techniques such as publication lists. Visualization of personal network.   
Nature Publishing Group Nature Network
Network for chemical and biological science. Utilizes tags for network proposals. Contains tools such as blog. User profiles are visible to non-members.  
LabRoots Labroots
Network for all sciences. Utilizes semantic techniques such as publication lists for network proposals. Contains tools such as blog.  
Academia Academia
Organization of university institutes and departments  
SciLink Inc. SciLink
Online community with the goal of helping to discover scientists, authors and relationships  
Epernicus Epernicus
Epernicus is a professional networking platform for research scientists.  
Indiana University Laboratree
Network for researchers.  


Category: Services

Subcategory: Chemistry Internet Portal

Author Link Description Comment
Gesellschaft Deutscher Chemiker
Internet offer of the German Chemical Society, includes protected member area  
American Chemical
Internet offer of the American Chemical Society
Digitalverlag GmbH, Verden, Germany
(German and English)
All information related to chemistry: news, publications, business, job market  
Chemistry Community: 350 journals, 15 databases, Beilstein abstracts (since 1980), NIST Chemistry WebBook (physical and chemical data), IUPAC name converter, Computational-Chemistry-Toolkit free access after registration
New products, publications, jobs, market information and tools.  

Subcategory: Translation

Author Link Description Comment
European Commission EuroDicAutom
(English and other EU languages)
Comprehensive dictionary (5.5 million entries) for all EU languages, also including chemistry terms (not yet tested)
Altavista Babelfish Easy to use tool for translation of up to 150 words or a webpage in many languages (including Chinese and Japanese)  
SDL International Freetranslation Easy to use tool for translation of text or a webpage in many languages (including Chinese and Japanese)  
TU Muenchen DICT.LEO Link Everything Online - German/English dictionary  

Subcategory: Internet service

Author or Provider Link Description Comment
Yahoo Delicious
Bookmarking service free service
Mister Wong GmbH Mister Wong
Bookmarking service free service
University of Kassel, Gemany Bibsonomy
Sharing bookmarks and lists of literature (export to Endnote or Bibtex possible)  free service
Springer Cite U Like
Sharing literature or creation of shared literature pool (either public or user groups) free service
Nature Publishing Group Connotea
Sharing literature or creation of shared literature pool (either public or user groups) free service


Category: Business

Subcategory: Jobs

Author Link Description Comment
Bundesministerium für Wirtschaft und Technologie nexxt-change (German) Nachfolgerbörse  
"Die Zeit" and "Forschung & Lehre" Academics (German) Karriereportal der Wissenschaft  

Subcategory: Chemicals

Author Link Description Comment
Chemical Register Chemical Register
Database with search engine for 32000 products from 9000 vendors. The homepage contains also job offers and an industry related link collection. FREE for buyers
Carl Roth GmbH (German) Internet shop for lab equipment and chemicals. No sales to private persons!  
Chemical Week Buyers Guide (English) Database for suppliers of chemicals.  

Subcategory: Industry Information

Author Link Description Comment
ICIS ICIS Home (English) Chemical and Oil Industry Information and News  
IHS ChemicalWeek (English) News and analysis for chemical and related industries  


Category: Others

Subcategory: Fun

Author Link Description Comment
School of Chemistry at University of Bristol Silly Molecules
Archive of real molecules with silly names. see also: Archive of molecules of the month
"Nick" (Australia) Chemisty Cartoons
Science Cartoons (Freeware)  
Professor Blume (University of Bielefeld, Germany) Zeitungsartikel
Flaws and mistakes related to Chemisty in newspaper articles  
The Crap Chemical Society Unpublished Chemisty
Journal of Unpublished Chemistry (JUnChem) last issue: 30th Jan, 2002, Vol 6

Subcategory: Software

Author Link Description Comment
Adeptscience Endnote
Bibliographic software for organizing references and pictures, creating bibliographies and for online search of bibliographic databases. 206 EUR (2008, incl. VAT, single user), free demo version 30 days
(Open Source Software, powered by JabRef
JabRef is an open source bibliography reference manager. The native file format used by JabRef is BibTeX, the standard LaTeX bibliography format. JabRef runs on the Java VM, Windows, Linux and Mac OS X.
Cambridgesoft ChemDraw Ultra: Drawing program for chemical structure formulas, including automatic naming; ChemOffice 2 weeks free trial
Beda Kosata BKChem
Chemical drawing program. Written in Pyton. free (GNU license)
Cepos In SilicoCaddle (English)Customizable and entirely web-based molecular modeling system that offers high-quality interactive 3D-visualization combined with advanced flexible workflows and protocols for modeling tasks.Requires only browser. Annual licence fee 38000 EUR, Universities multiple node 6300 EUR.
Accelrys Discovery-Studio-Visualizer
Program for visualization of structures. Includes 3D molecule editor. Export as jpg, bmp, vrml or as ActiveX plugin in Powerpoint presentations free basic version, paid PRO version
Advanced Chemistry Development ACD/Name ACD/IUPAC naming 995 EUR (single user university)
Symyx Symyx Register and Download (no-fee products, English) Databases and software, including MDL ISIS/Draw and MDL Chime paid and free downloads
Leokrut LeoStatistic (English) Building histogram, curve fit, multivariate regression, data modeling software Shareware
Software Solutions PiSystems Calculation of color and spectrum of organic chemicals 396 EUR
Technische Universität Kaiserslautern Open Enventory (English, German, Fremch, Spanish) Laboratory journal, literature database and inventory management (with optional barcode system) Open-Source-Freeware, Web server with PHP scripts, Java applets and SQL database runs on server, users can access with web browser
Xemistry Web Sketcher (English) Web server based structure drawing program, which does not require plug-ins or Java on the client. Connection via JavaScript to common information systems. Demo on homepage links to Wikipedia. Formats: SMILES/SMARTS, JME strings, MDL standard, ISIS Query Molfiles Only client with JavaScript enebled web browser required, no Java or plug-ins. Free online demo with link to Wikipedia entry form. 
(Open Source Software, LPGLV3 license, provided by ChemHack) jsMolEditor (English) 2D-structure editor for MOL file format, written in JavaScript for web browsers. No Java, plug-in, ActiveX or applet required on client.  Only client with JavaScript enebled web browser required, no Java or plug-ins.
Scienomics Maps (English) The "Materials and Process Simulations" is a software platform for performing materials (molecular) modeling and simulations.  free evaluation download, paid download of licensed version
Outokumpo HSC Chemistry Simulation and analysis of thermodynamic equilibriums and chemical reactions  
Scitouch Indigo (English) C++ toolkit for organic chemistry: Bingo (Search of molecules in Oracle databases), Dingo (molecule and reaction rendering library), Cano (canonical SMILES computation), Deco (R group deconvolution and scaffold detection), Nucleo (nucleotid chain handling) free (GPL v3 license) or commercial license with additional service and extensions
Christoph Steinbeck JChemPaint (English) Open Source drawing progam for chemical structures. Can work with .mol, .cml, SMILES and common formats. Available as application or Java applet for web browsers ( Test page for Java Applet ).  free (GNU Lesser Public License)
Proteochemometric group at University of Uppsala (Sweden) and Chemoinformatics and Metabolism team at EBI in Cambridge Bioclipse (English) Bioclipse is a free and open source workbench for the life sciences, especially bioinformatics and chemoinformatic. With tools for visualization and editing of 2D and 3D structures, proteins, sequences and spectra (NMR, MS). Integrated are QSAR and a structure database. free (open source, Eclipse Public License)
ACD/Labs (English) Software for chromatography, spectroscopy and general applications, e.g. ChemSketch for Windows and Palm OS; partly Freeware


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