1. Elsevier MDL Home Discovery informatics company for life sciences and chemistry. Makers of Assay Explorer software to track and datamine imaging based experiments. http://tmsyn.wc.ask.com/r?t=an&s=hb&uid=24312681243126812&sid=343126

2. Medicinal Chemistry Informatics Departments and Graduate Degree Programs in Medicinal Chemistry electronicexchange of information related to organic chemistry concerns of all types. 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)

3. The Information Retrieval In Chemistry Chemistry and Sciences resource compedium by field and by topic; Chemistry mailing lists overview; Internet resources by topic; Greek resources http://tmsyn.wc.ask.com/r?t=an&s=hb&uid=24312681243126812&sid=343126

4. Unilever Centre For Molecular Science Informatics, University Of over 13M to establish a new worldleading research group within the Department of Chemistry in the emerging field of Molecular Informatics. http://tmsyn.wc.ask.com/r?t=an&s=hb&uid=24312681243126812&sid=343126

5. Drug Discovery Combinatorial Chemistry Biology Services From Products for lead discovery and optimization, medicinal and combinatorial chemistry, structural biology, ultra high throughput screening, assay http://tmsyn.wc.ask.com/r?t=an&s=hb&uid=24312681243126812&sid=343126

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7. GeneGo Is Awarded Phase II NIH Grant For In Silico Assessment Of like the flexibility of thesystem which makes their version of MetaDrug specific to their chemistry spaceand informatics environment. http://tmsyn.wc.ask.com/r?t=an&s=hb&uid=24312681243126812&sid=343126

8. Lib 720000853EN - We're A Lot More Than You Think . Title We're A Lot More Than You Think. Chromatography. Mass Spectrometry. Chemistry. Informatics. Services. Library No. http://tmsyn.wc.ask.com/r?t=an&s=hb&uid=24312681243126812&sid=343126

9. GNA Distance Learning Catalog Science Chemistry Informatics Top Science Chemistry Informatics http://tmsyn.wc.ask.com/r?t=an&s=hb&uid=24312681243126812&sid=343126

10. SYNTHEMATIX ARTHUR Reaction Planner Chemistry Informatics SYNTHEMATIX ARTHUR Reaction Planner chemistry informatics Software. Chemical Reaction Planning, Relay Pathways, Reactants, Substances, Molecule http://tmsyn.wc.ask.com/r?t=an&s=hb&uid=24312681243126812&sid=343126

11. Rcconsultoria * Chemistry - Eletronics - Informatics * ChemistryElectronics-Informatics Informa es http://tmsyn.wc.ask.com/r?t=an&s=hb&uid=24312681243126812&sid=343126

12. CINF Combinatorial chemistry informatics. Cosponsored with Division of Computers Careers in Chemical Information. Cosponsored with Younger Chemists Committee http://www.lib.uchicago.edu/cinf/224nm/CINF Final Boston 2002 Program.htm

CINF DIVISION OF CHEMICAL INFORMATION Final Program, 224th ACS National Meeting, Boston, MA, August 18-22, 2002 R. W. Snyder, Program Chair SUNDAY MORNING Section A Convention Center Room 102 Virtual High-Throughput Screening Fast docking and Scoring Cosponsored with Division of Computers in Chemistry, and Division of Medicinal Chemistry O. F. Güner, Organizer M. Waldman, Presiding Ultra High Throughput Screening using THINK on the Internet. E. K. Davies , C. J. Davies Next steps for virtual screening and massively distributed computing. D. M. Potts Evaluating protein-ligand interactions through flexible docking. T. Hurst Docking of diverse ligands to diverse protein sites: six degrees of application. T. A. Lyons , M. Dooley, A. Lamy, S. Patel, R. Hoffmann, H. Bertrand, M. Lim-Wilby eHiTS: Novel algorithm for fast, exhaustive flexible ligand docking and scoring Z. Zsoldos , A. P. Johnson, A. Simon, I. Szabo, Z. Szabo Effect of electrostatic models on the accuracy of ligand docking. P. W. Payne Section B Convention Center Room 101 Integrated Access to Chemical and Other Data Sources K. A. Harrington

13. You Are Invited To Participate With The Chemical Information Division Business information for chemists (Cosponsored with bmgt). Standards forchemistry informatics J. Rumble Jr., Standard Reference Data, NIST, http://www.lib.uchicago.edu/cinf/226nm/cinf_program_summary.htm

You are invited to participate with the Chemical Information Division program at the upcoming ACS National Meeting in New York, September 7-11, Please use the OASYS to submit your abstracts (click on CINF at http://oasys.acs.org/oasys.htm). The deadline for submitting abstracts is May 12th, 2003. For any further questions, contact individual session organizers directly. New York, Sept. 7-11, 2003 Division of Chemical Information Program Chair: O. F. Güner, Accelrys Inc, 9685 Scranton Road, San Diego, CA 92121-3752, 858-799-5341, fax 858-7995100, e-mail: osman@accelrys.com Please note that 35mm slide projector are no longer considered standard equipment. If you need to use a slide projector, you need to indicate this. Advances in reaction searching (CALL FOR PAPERS DETAILS) T. Wright, MDL Information Systems, Inc, 14600 Catalina Street, San Leandro, CA 94577, 510-357-2222, fax 510-614-3652, e-mail: terryw@mdli.com At your Fingertips: Use of PDAs in Chemical Information (CALL FOR PAPERS DETAILS) E. Kajosalo, Libraries, Massachusetts Institute of Technology, 77

14. Informatics Informatics specialists in the health/science field can also specialize in dentalinformatics, medical informatics, and biology/chemistry informatics. http://www3.ccps.virginia.edu/career_prospects/briefs/E-J/Informatics.shtml

Career Prospects in Virginia Careers in Informatics Home Find another career Find career statistics Printer friendly page ... Preferred education Bachelor's degree or higher 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 Look for work Link to job banks and other job search resources Earnings Moderately high Links Find more information about this career Profile of an informatics student WHAT DO THEY DO? 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 accommodate all those papers. Today, however, there's a better way. Hospitals call on people who specialize in informatics. Informatics specialists study and develop new uses for information technology. They study how to gather, manipulate, store, retrieve, and classify 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 areastelecommunications, navigation systems, commercial banking, and morebut many specialize in the health sciences, working on solving problems in biology, chemistry, dentistry, medicine, and

15. Informatics Or they might work on teams with biologists and chemists to develop software thathelps medical informatics, and biology/chemistry informatics. http://www3.ccps.virginia.edu/career_prospects/briefs/Print/E-J/Informatics.shtm

Career Prospects in Virginia Careers in Informatics What do they do? Specializations include: Preferred education: Bachelor's degree or higher 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 Look for work Link to job banks and other job search resources Earnings: Moderately high Links: Find more information about this career Profile of an informatics student WHAT DO THEY DO? 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 accommodate all those papers. Today, however, there's a better way. Hospitals call on people who specialize in informatics. Informatics specialists study and develop new uses for information technology. They study how to gather, manipulate, store, retrieve, and classify 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 areastelecommunications, navigation systems, commercial banking, and morebut many specialize in the health sciences, working on solving problems in biology, chemistry, dentistry, medicine, and nursing.

16. Scientific Computing World: Feature Articles The product line includes naming chemical structures, prediction of physicalproperties, and analytical chemistry informatics. In this latter grouping, 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?

17. Chemistry Server S Output Medicinal chemistry informatics, Buffalo U. http//wiz2.pharm.wayne.edu/ http//www.biologicalinformatics.info/ Biological Informatics http://macedonia.chem.demokritos.gr/chem/show.pl?select=01-200-17

18. Elsevier MDL Company Information Newsmagazine Integrating biology and chemistry informatics with MDL Select Configuring datasources with the Isentris Data Source Builder New, selfpaced training http://mdl.com/company/news/newsmagazine/index.jsp

19. Software Software and Information Management Providers for Laboratory Automation Systems offers an integrated solution for combinatorial chemistry informatics, http://lab-robotics.org/software.htm

The Laboratory Robotics Interest Group Home Software and Information Management Providers for Laboratory Automation Aber Genomic Computing (AberGC) is an informatics company based in Wales, UK. AberGC provides novel data mining , scheduling and predictive modeling solutions based upon evolutionary computing, machine learning and other supervised learning techniques. Our new product, gmax-bio , is the first commercial package to fully utilize these techniques and is designed for all aspects of drug discovery research. Gmax-bio is a novel informatics package based on genomic computing techniques which uniquely utilize Darwinian methods of natural selection to evolve mathematical algorithms to rapidly solve complex data-mining and predictive modeling problems. Accelrys is the leading provider of software for biologists, chemists, and materials scientists. Through computation, simulation, and the management and mining of scientific data, we accelerate product design, discovery, and development. Afferent Systems offers an integrated solution for combinatorial chemistry informatics, including instrument control and product data generation, access, and storage, all optionally using an Oracle-based enterprise-wide database.

20. Exploiting Molecular Diversity Combinatorial chemistry informatics and Library Design for Integrated LeadDiscovery in Pharmaceutical Research Predictive QSAR Modeling Applications to http://www.healthtech.com/2002/mld/

2003 Conference Immediately preceding High-Throughput Organic Synthesis at the same venue, February 13-15, 2002 Sponsoring Publicaions: Current Opinion in Molecular Therapeutics Molecular Diversity Web Partner Combichem.net SCIENTIFIC ADVISORS/SESSION CHAIRS Dr. Alexander Doemling, Morphochem AG Dr. Benjamin E. Rich, Brigham and Women's Hospital Dr. Alexander Tropsha, University of North Carolina at Chapel Hill ADDITIONAL SPEAKERS Dr. Manfred Auer, Novartis Dr. Nigel R.A. Beeley, Arena Pharmaceuticals, Inc. Dr. Paul Beroza, Telik, Inc. Dr. Irwin Chaiken, University of Pennsylvania School of Medicine Dr. Walter Cristofoli, Advanced ChemTech Dr. Li Di, Wyeth-Ayerst Research Dr. Alexey V. Eliseev, State University of New York at Buffalo and Therascope AG Dr. Peter Grootenhuis, DuPont Pharmaceuticals Research Laboratories Dr. Klaus Gubernator, Senomyx, Inc. Dr. Mark Hermsmeier, Bristol-Myers Squibb Dr. Eric A. Jamois, Accelrys Inc. Dr. Daria Jouravleva, Advanced Chemistry Development, Inc. Dr. Christopher A. Lipinski, Pfizer Global Research and Development

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