1. Medicinal Chemistry Informatics Chemistry; Synthetic Organic Chemistry; Research Databases. General. Research InterestOrganizations; Misc. Information; Chemical Informatics; Online Magazines http://wings.buffalo.edu/academic/department/pharmacy/mch/public_html/informatic

Medicinal Chemistry on the Internet Types of InterNet Resources: Educational Departments and Graduate Degree Programs in Medicinal Chemistry On-Line Courses and Course Materials Instructional/Educational Resources Molecular Modeling Vendors/Sources Research On-Line Journals Online Journal Projects Electronic Conferences Literature Databases Drug Design in Medicinal Chemistry Synthetic Organic Chemistry Research Databases General Research Interest Organizations Misc. Information Chemical Informatics Mailing Lists Educational Resources for Medicinal Chemistry Departments and Graduate Degree Programs in Medicinal Chemistry SUNY/Buffalo Ohio State University Purdue University Virginia Commonwealth University ... Katholieke Universiteit Leuven On-Line Courses and Course Materials SUNY/Buffalo - Introductory Chemistry Web Medicinal Chemisty Course F120 at Leeds University Computer-Aided Drug Design CHEM3125 Structure-Based Drug Design: A 3-Month Course ... UCLA Virtual Office Hours in Chemistry Instructional/Educational Resources NIH Molecular Modeling Knowledge Global Instructional Chemistry - Imperial College The Learning Matters of Chemistry Chemistry Teaching Resources - Umea Univ. (Sweden)

2. Hackberry.chem.niu.edu/ Combinatorial Chemical Information The Chemical Information (CINF) Division is planning a series of sessions on Combinatorialchemistry informatics at the fall ACS meeting in New Orleans (August http://hackberry.chem.niu.edu/

3. Informatics specialists in the health/science field can also specialize in dental informatics,nursing informatics, medical informatics, and biology/chemistry informatics. http://www3.ccps.virginia.edu/career_prospects/briefs/Print/E-J/Informatics.html

Careers in Informatics Family: Area: Business information systems What's it like? Specializations include Preferred education Bachelor's degree Certification available Getting ahead May advance to managerial and leadership positions Skills Database programming, directing projects, problem-solving, working under pressure Where they work Job outlook Good, Earnings Moderately high Links Find more information about this career WHAT'S IT LIKE? A hospital wants to create a better system for managing patient records. In the days before computers, the hospital might have turned simply to a bigger and better file cabinet to accomodate all those papers. Today, however, there's a better way. Hospitals call on people who specialize in informatics. Informatics specialists are the people who study and develop new uses for information technology. They study how to gather, manipulate, store, retrieve and classify recorded information in all types of settings. The end goal of their work is to use technology to solve human problems. People working in informatics can apply their computer skills to diverse subject areas, - telecommunications, navigation systems, commercial banking and more - but many specialize in the health sciences, working on solving problems in biology, chemistry, dentistry, medicine and

4. Science Infomatics 2nd Discipline - Information Technology - Rensselaer CHEM 4xxx chemistry informatics (Chemistry Track). Ecology Elective (EcologyTrack). Ecology Elective (one of) - BIOL-4700 Freshwater Ecology. http://www.rpi.edu/dept/IT/undergrad/science_informatics.html

RPI Home RPInfo Grad Undergrad ... How To Apply Contact Person: John Salerno (Biology Track) Ron Bailey (Chemistry Track) Sandra Nierzwicki-Bauer (Ecology Track) Description Chemistry Track The volume of data that will derive from HGP HTS CombiChem is enormous and Rensselaer, though its IT program, can help the industry and humankind by supplying the chemical and biological scientists to generate, handle, and analyze these data. There will be a "magic bullet" some day soon for treating cancer and it will come from the HPG HTS CombiChem approach. Ecology Track Required Courses Semester I Semester II ITEC-1210 The IT Revolution: Myth or Reality? CSCI-1100 Computer Science I MATH-1010 Calculus I CHEM-1100 Chemistry I (Science Elective) ITEC-1220 Politics and Economics of IT CSCI-1200 Computer Science II MATH-1020 Calculus II (Math Elective) CHEM-1200 Chemistry II (Science Elective) Semester III Semester IV One of: * - CSCI-2500 Computer Organization ITEC-2210 Intro to Human Computer Interaction ITEC-2110 Exploiting the Information World Track Option 1 One of: * Probability and Statistics Elective (one of): - DSES-2010 Statistics for Management - ENGR-2600 Modeling / Analysis of Uncertainty - MGMT-2100 Statistical Methods

5. Scientific Computing World: Feature Articles The product line includes naming chemical structures, prediction ofphysical properties, and analytical chemistry informatics. In http://www.scientific-computing.com/scwsepoct02inpersonrobertdewitte.html

home Subscribe for free news reviews ... about us In Person: Robert DeWitte Structures and science Robert DeWitte , Marketing Director of ACD Labs, tells Tom Wilkie how Russian scientists' deep understanding of chemical structure grew into a global software business. How did the company begin? The product line includes naming chemical structures, prediction of physical properties, and analytical chemistry informatics. In this latter grouping, prediction of NMR spectra is the beginning of what we do: we can compare predicted to experimental spectra and automate the analysis of spectra by attaching structures to spectra. This increases throughput in the labs, and nowadays it's 'high throughput' everything. How did you begin with ACD? I joined the company two years ago from Abbott Laboratories, where I was dealing with the management of laboratory information. I sent out requests to cheminformatics vendors for a new system to manage biology assay data and was impressed when ACD said this wasn't what they did. ACD's specific focus is the naming of compounds; the prediction of physical properties and analytical chemistry information. It's not a space we own uniquely, but what we don't find is a company that has the breadth that we have in terms of analytical techniques, and a deep understanding of chemical structure and how that connects with their spectra. Not many other packages predict 95 per cent of the compounds thrown at them and get them right. What software does ACD provide?

6. Mess1255 Cambridge, CB2 1EZ, United Kingdom, +44(0)1223-336425, fax +44-(0)1223-336033, e-mailallen*(at)*ccdc.cam.ac.uk Standards for chemistry informatics J. Rumble http://www.ccl.net/cca/info/conferencelist/mess1255.shtml

http://www.ccl.net/cca/info/conferencelist/mess1255.shtml CCL About CCL Rules Instructions Contributing Material ... Send E-mail to CCL Administrators From jkl*(at)*osc.edu Tue Apr 1 17:30:07 2003 -0500 To: chminf-l*(at)*listserv.indiana.edu, chemistry*(at)*server.ccl.net, qsar_society*(at)*accelrys.com Subject: 03.09.07 CINF Program at the 226th ACS National Meeting in New York http://www.accelrys.com Note that all e-mail addresses were changed to fight spam. If you want to send e-mail, you need to convert *(at)* to . For example: change: jkl*(at)*ccl.net to jkl@ccl.net CCL Home Page About CCL Resources Search CCL ... Raw Version of this page Modified: Wed Jul 9 19:10:30 2003 GMT Page accessed 678 times since Fri Jul 11 02:29:34 2003 GMT

7. IllumiRate Directory Computers Internet Software Home Offers an integrated solution for combinatorial chemistry informatics, includinginstrument control and product data generation and storage. 0 opinions. 18. http://www.illumirate.com/Illumirate/cat_items.cfm?cat_id=434368

8. MDL Information Systems Company Information News Press MDL® Select integrates biology and chemistry informatics. New discovery informaticsoffering streamlines workflow management for small to midsized biopharmas. http://www.mdli.com/company/news/press_releases/2004/pr_select_12feb04.jsp

9. DAAD - Wandel Durch Austausch - Change By Exchange - Cambio Por Intercambio ChemistryComputer-Centre (CCC) facility, comprising appointed experts in thefields of molecular modelling and chemistry informatics, special computer http://www.daad.de/deutschland/en/2.2.9.html?module=Fachbereich&do=show&id=20003

10. LabAutomation2004 Technical Program Glance 800 1000 am. HT Chemistry Analytical. HTS Informatics. Microfluidics IntegratedDesign. 800 - 1000 am. HT chemistry informatics. HTS Automated Design. http://labautomation.org/LA/LA04/glance.htm

Conference at a Glance [Sunday] [Monday] [Tuesday] [Wednesday] ... [Thursday] Sunday, February 1, 2004 8:30 am - 4:30 pm Short Courses Monday, February 2, 2004 8:30 am - 4:30 pm Short Courses 4:00 - 8:00 pm Opening Reception in the Exhibit Hall Tuesday, February 3, 2004 8:00 am - 12:00 pm Plenary Session A Look to the Future 10:00 am - 6:30 pm Exhibits Open 12:00 - 1:30 pm Lunch in the Exhibit Hall, optional exhibitor-sponsored lunch workshops 1:30 - 3:00 pm Poster Program 3:00 - 5:00 pm HT Chemistry Methods HTS Ion Channels Microfluidics Genomics Analytical Proteomics Arrays Clinical Proteomics Engineering Applications 5:00 - 6:30 pm Reception in the Exhibit Hall 6:30 pm GALA Dinner Fairmont Hotel Wednesday, February 4, 2004

11. Analytical Informatics Resource for course in the use of machine learning, automated data analysis and data mining, run by the chemistry Department of Purdue University, West Lafayette, Indiana. http://miner.chem.purdue.edu/

Analytical Informatics Chemistry 696D Purdue Univerisity Department of Chemistry Spring 2003 M,W 4:30-5:45 (WTHR 420) Instructor: Randy Julian rkjulian@miner.chem.purdue.edu Last Updated: 13 May 2003 Lectures Projects Exams Programs ... Links Note: This material is intended soley for use by Chemistry 696D students. Summary Analytical Informatics: using information technology to enhance data analysis in analytical chemistry. Analytical Informatics has had great impact on analytical chemistry and biochemistry. It is very broadly applicable, and is used in such diverse areas as: · Industrial analytical chemistry · Pharmaceutical research · Applied computational chemistry · Genomics · Proteomics · Instrument development This course will introduce many aspects of 'Informatics' in chemistry. It will take examples from analytical chemistry and life-sciences research to show how to use computer technology coupled with statistics and ideas from pattern recognition to solve real world problems. Course Topics Machine learning · Linear methods: linear discriminants, least squares methods

12. Mathub - The Focal Point For Computational Materials Science On The Web By Micha Features current and background information about molecular modeling and informatics for chemistry and materials science. http://www.mathub.com/

ABOUT MATHUB REGISTER SITE MAP CONTACT US About Mathub Mathub is the focal point for computational materials science on the web, providing a gateway to scientific information about modeling and informatics. If you're interested in in silico materials science this site is just what you've been looking for. Register Free registration is required to access the Mathub site. Register now Features Modeling at Continental Tire - an Interview Computational Chemistry in the Fine Chemicals Industry Theoretical and Computational Chemistry at University College London Nanoscale Modeling. More Features... Job Vacancies March 2004 - Graphic Design Specialist - Cambridge, UK. Full time. Contact Michael Francis WebWatch WebWatch reviews the best of the web for computational materials science. Current Mathub WebWatch is

13. MDL Information Systems :: Home Discovery informatics company for life sciences and chemistry. Makers of Assay Explorer software to track and datamine imaging based experiments. http://www.mdli.com

Database Finder Product Finder Product Matrix Solutions for Research Scientists ... Login problems? Download No-Fee Software AutoNom 2000 Add-in MDL's quarterly newsmagazine features customer success stories from Discovery Partners International and Speedel Experimenta and news about DiscoveryGate SM for academia, the xPharm SM 06-May-04 MDL delivers online chemical information to entire UC system 19-Apr-04 xPharm SM offers researchers on-demand pharmacology expertise 29-Mar-04 MDL offers DiscoveryGate research platform to academia 01-Mar-04 June 18, 2004 Tetrahedron Symposium 2004 August 09, 2004 Drug Discovery Technology 2004 Please note: Your continued use of this Web site constitutes notice to you Terms of Use Status: Not Logged In. Sessionid: 4E266B8DE4AE8208E01852DFDA8B8775

14. DHI Water & Environment Independent, international organisation affiliated with the Danish Academy of Technical Sciences, offering research and consultation in ecology, environmental chemistry, water resources, environmental informatics, and hydraulic structures, with particular emphasis on environmental monitoring. http://www.dhi.dk/

Quick Search: Advanced Quick Access for Consultants Software Users Laboratory Users The Media ... Visitors Your Area of Interest Coastal Areas Estuaries Industries Offshore Areas ... Urban Areas DHI Web Sites DHI Software DHI Offices Worldwide Other DHI Web Sites transforming knowledge of water into value and welfare Agern Allé 5 DK-2970 Hørsholm Denmark Tel: +45 4516 9200 Fax: +45 4516 9292 dhi@dhi.dk N E W S FLOODRELIEF develops a flexible, low-cost and high-resolution operational weather forecasting system for flood forecasting (2/6-2004) DHI support implementation of the EU Water Framework Directive (PDF 700KB) (26/5-2004) 10.000 users of DHI Weather Radar Service (17/5-2004) ... More news...

15. Serenex Solidifies Management Team With Addition Of Director Of For Immediate Release. Contact George Young. Serenex, Inc. to Director of Computational chemistry and. informatics. In his role, Dr http://www.serenex.com/library/docs/VealDirector.pdf

16. University Of Kuopio, Department Of Clinical Chemistry Home Page Biochemistry; University of Turku, Department of Clinical chemistry;University of Turku, Medical informatics Research Centre; CSC http://www.uku.fi/laitokset/klkem/klkemeng.html

University of Kuopio, Department of Clinical Chemistry Welcome to the world of Clinical Chemistry! This WWW page is still under construction. At the moment there are some links to services produced earlier. Information is also available in Finnish Additional information available: University of Kuopio Kuopio University Hospital Kuopio Science Park Map of Kuopio City Department of Clinical Chemistry (information in Finnish) General instruction Staff Seminars Research Handbook ... Diploma in Clinical Biochemistry Searching WWW space General Alta Vista The Lycos Home Page: Hunting WWW Information W3 Search Engines Medical CliniWeb MedWeb: Pathology and Laboratory Medicine Medicine WWW services DDRT, Karolinska Insitute ... Scandinavian Journal of Clinical and Laboratory Investigation Universities, Academic Institutions, Hospitals Europe Chemistry at the University of Helsinki University of Tampere Medical School, Department of Medical Biochemistry University of Turku, Department of Clinical Chemistry University of Turku, Medical Informatics Research Centre ... Royal Perth Hospital, Division of Laboratory Services Newsgroups bionet.diagnostics

17. Kent Mass Spectrometry Service - Home Page Offer molecular weight confirmation and isotope mass service by EI, CI or FAB for synthetic organic chemistry. Includes informatics upgrades, prices and details for sample submission, and contacts in Dartford, England. http://www.kentmassspec.com/

Welcome Kent Mass Spectrometry Service KENT MASS SPECTROMETRY SERVICE for molecular weight confirmation and high resolution accurate mass measurement. KENT ELECTRONICS supply ProLab (TM) and Adron Systems (TM) mass spectrometer data systems. Kent Mass Spectrometry provide a mass spectrometry service by direct insertion probe for synthetic organic and organo-metallic chemistry from only £8.00 (US$12.00/€12.00) per sample. Spectra are e-mailed as MS Word(TM).doc files back over the Internet. See our SERVICES page for further information. Kent Electronics are UK and European agents for mass spectrometer data systems. See our PRODUCTS page for further information. Services/Products Mass Spectrometry Service Mass Spectrometer Data System Upgrades Used Vacuum Pumps E-mail info@kentmassspec.com for further information Click here to visit the ProLab Resources site Unit 1, 8-14 St Vincent's Rd. Dartford, Kent, UK Phone: E-mail: info@kentmassspec.com HITS SO FAR!

18. Chemical Informatics single company!) yearly. Combinatorial chemistry techniques grew out of several and physical chemistry, engineering and robotics, computational chemistry, informatics, and screening http://www.indiana.edu/~cheminfo/informatics/cinform_whatis.html

Chemical Informatics IUB HOME IUPUI HOME CAMPUSES KNOWLEDGE BASE ... Research CHEMICAL INFORMATICS Courses People Why Study Cheminformatics? Chemical Informatics Center ... BIOINFORMATICS What is Chemical Informatics? Variously known as chemoinformatics, cheminformatics, or even chemiinformatics, chemical informatics is the application of computer technology to chemistry in all of its manifestations. Much of the current use of cheminformatics techniques is in the drug industry. Indeed, one definition of chemical informatics is "the mixing of information resources to transform data into information and information into knowledge, for the intended purpose of making decisions faster in the arena of drug lead identification and optimization." Now chemical informatics is being applied to problems across the full range of chemistry. Chemical informaticians often work with massive amounts of data. They construct information systems that help chemists make sense of the data, attempting to accurately predict the properties of chemical substances from a sample of data. Thus, through the application of information technology, chemical informatics helps chemists organize and analyze known scientific data to assist in the development of novel compounds, materials, and processes. People who work in chemical informatics may concentrate on molecular modeling, chemical structure coding and searching, chemical data visualization, or a number of other areas of specialization. Indeed, the various computer graphics codes for chemical structures that let us both view and search chemical structures via computer were developed by chemical informaticians. Methods and tools used in cheminformatics include:

19. ISMC 2004: Main These developments are continuously broadening the borderlands between chemistry,informatics and biology and provide new opportunities for drug design on a http://www.ismc2004.dk/

Welcome Dear colleagues, The Organizing Committee cordially invites you to the XVIIIth International Symposium on Medicinal Chemistry (ISMC) to be held in Copenhagen, Denmark (August 15-17 and 19) and Malmö, Sweden (August 18), 2004 under the auspices of the European Federation of Medicinal Chemistry (EFMC) The XVIIIth ISMC will reflect that medicinal chemistry is a scientific discipline undergoing rapid development. The molecular biological revolution, new drug design technologies and the progressing mapping of the human genome have created a new exciting working field for scientists in these research areas. These developments are continuously broadening the borderlands between chemistry, informatics and biology and provide new opportunities for drug design on a rational basis. The ISMC 2004 will illustrate the integration of the complementary industrial and academic drug design approaches. Copenhagen and Malmö are main centers of the thriving Medicon Valley . More than 500 companies within the biomedico/human life science field, as well as 11 university hospitals and 12 universities are located in the Medicon Valley , which since 2000 has been linked by the Öresund Bridge.

20. CHI's Molecular Medicine Marketplace EarlyPhase Discovery chemistry in the Pharmaceutical chemistry, and Section Head, Computational chemistry informatics, AstraZeneca Pharmaceuticals LP. chemistry's role http://www.chimolecularmed.com/track3.asp

Related CHI Conferences CHI Home Page Upcoming CHI Conferences Genomics on Target Beyond Genome April 19-22, 2005 Moscone North Convention Center San Francisco, California Home Programs Registration Exhibits Sponsorship Hotel Info Request Info ... Define Molecular Medicine TRACK 3 TARGET-DRIVEN CHEMISTRY TRACK Rethinking Target to Lead Strategies in the Pharmaceutical Industry March 17-20, 2003 Corporate Track Sponsor The increasingly large number of new drug targets to explore utilization of target structure in guiding screening efforts, and exciting developments in the synthesis of small molecules has forced and facilitated the integration of biology and chemistry in drug discovery. This conference will showcase examples of how structure-based design and informatics-driven chemistry can improve the success rate of empirical screening while approaches such as dynamic combinatorial chemistry and natural product synthesis present alternative routes to design of a diverse, yet focused library. Examples of applying combichem techniques in medicinal chemistry will be presented for the first time. Scientific Advisors Dr. Robert DeWitte, Advanced Chemistry Development Inc.

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