21. Chemical Informatics Courses Indiana University Gary D. Wiggins, Director of the Programs in Bioinformatics andChemical informatics chemistry Building 003, 800 East Kirkwood, Bloomington http://www.indiana.edu/~cheminfo/informatics/ci_iu.html

Chemical Informatics IUB HOME IUPUI HOME CAMPUSES KNOWLEDGE BASE ... CHEMICAL INFORMATICS Courses People Why Study Chemical informatics? What is ... BIOINFORMATICS Chemical Informatics Degree Programs The chemical informatics curriculum, developed jointly by IUB and IUPUI, educates students in the following major aspects of chemical informatics: Information Acquisition Methods used for generating and collecting data empirically (experimentation) or from theory (molecular simulation) Information Management Storage and retrieval of information Information Use Data analysis, correlation, and application to problems in the chemical and biochemical sciences. Chemistry and other faculty at both IUB and IUPUI teach the chemical informatics courses collaboratively. In addition, adjunct faculty and guest lecturers from industrial settings with specific expertise in selected topics of chemical informatics enhance the curriculum through distance education lectures. Undergraduate Program in Chemical Informatics An undergraduate Bachelor of Science degree in the School of Informatics requires the completion of informatics core courses (30 hours), informatics electives (9 hours), and cognate area courses (15 hours). For Chemical Informatics, 19 hours are required including: General Chemistry (6 hours: C105-C106) Organic Chemistry (6 hours: C341-C342) Biochemistry (3 hours: C483) Chemical Informatics courses (4 hours: C371-2, C471-2)

22. Unilever Cambridge Centre For Molecular Informatics Unilever Centre for Molecular informatics. Dept. of chemistry. Lensfield Road http://www-ucc.ch.cam.ac.uk/jobs

Home Staff Research Publications ... Contact Employment Opportunities in the Centre for Molecular Informatics There are currently no employment opportunities in the Centre. Vacancies in the Dept. of Chemistry Job and Studentship Advertisements Postgraduate Research in the Dept. of Chemistry Email Dr. C.E. Bolton, the UCC Webmistress

23. Newsletter For Chemistry, Biology, And Informatics Researchers 2 Prof. Gregory Petsko; A New Paradaim for StructureBasedDrug Design Using Crystallography and Combinatorial chemistry ; http://www.cbi.or.jp/cbi/CBInews-old/cbinews.html

CBI News ˆóü”Å‚ªì¬‚Å‚«‚Ü‚·B ftp://sun.cbi.or.jp/cbi/CBINEWSorigin/PostScript01.ps ftp://sun.cbi.or.jp/cbi/CBINEWSorigin/PostScript02.ps ftp://sun.cbi.or.jp/cbi/CBINEWSorigin/PostScript03.ps ftp://sun.cbi.or.jp/cbi/CBINEWSorigin/PostScript04.ps ... CBI News 1997 Vol.17 NO.5 ‘æ159‰ñCBIŒ¤‹†u‰‰‰ïuƒRƒ“ƒsƒ [ƒ^‚ðƒx[ƒX‚Æ‚µ‚½¶‘̐§Œä•¨Ž¿‚̃fƒUƒCƒ“‚ƍ‡¬‹Zp‚̐i•àv –k‘ºˆê‘×”ŽŽm(‘吳»–ò)‚̍u‰‰‚æ‚è •ªŽq“®—ÍŠw‚É‚æ‚鎉Ž¿‚̃‚ƒfƒŠƒ“ƒO‚Æ‚»‚̉ž—p ‘å–Q–ò•iH‹ÆiŠ”j @ ‘½“cK—Y –Ø‘]—Ç–¾”ŽŽm(‹ž“s–ò‰È‘åŠw)‚̍u‰‰‚æ‚è ŠîŽ¿‘JˆÚó‘Ô‚ÉŠî‚‚¢‚ăfƒUƒCƒ“‚³‚ꂽHIVƒvƒƒeƒA[ƒ[‘jŠQÜ‚Ì•ªŽq”FŽ¯ ƒG[ƒUƒCiŠ”j @ ìã‘P”V CBI News 1997 Vol.17 NO.4 Cyrus Chothia”ŽŽm‚̍u‰‰‚æ‚è ‘æ159‰ñCBIŒ¤‹†u‰‰‰ïuÅ‹ß‚Ì•ªŽq“®—ÍŠw‚𒆐S‚Æ‚µ‚½‰ðÍŽè–@‚̐i•à‚Æ‚»‚̐æ‹ì“I ‚ȉž—pŽ–—á‚ɂ‚¢‚āv Peter Kollman ‹³ŽöiƒJƒŠƒtƒHƒ‹ƒjƒA‘åŠwƒTƒ“ƒtƒ‰ƒ“ƒVƒXƒRZj‚̍u‰‰‚æ‚è u¶‘Ì•ªŽq‚Æ—L‹@•ªŽq‚Ì•ªŽq“®—ÍŠw–@AŽ©—RƒGƒlƒ‹ƒM[ŒvŽZ‚É‚¨‚¯‚éÅ‹ß‚Ì•û–@˜_‚̐i•à ‚Æ‚»‚̉ž—pv “dŽq‹Zp‘‡Œ¤‹†Š@@Œ–¾’n—El CBI News 1997 Vol.17 NO.3 ‘æ157‰ñCBIŒ¤‹†u‰‰‰ïu•ªŽqÝŒv‚Ì‚½‚ß‚ÌŠî”Õ‹Zpv ƒRƒ“ƒrƒiƒgƒŠƒAƒ‹ƒPƒ~ƒXƒgƒŠ[‹Zp‚̍ŐV“®Œü@Œ¤‹†ŠJ”­‚ÌŒø—¦‰»‚ƐV–òŠJ”­‚ւ̉ž —p ‰ÈŠw‹ZpU‹»Ž–‹Æ’c@@@@@@@@@@@—Lš @® CBI News 1997 Vol.17 NO.2

24. Chemical Informatics Letters hits a month, which is about 23 % of the traffic for the Cambridge chemistry DepartmentWeb Server. Centre for Molecular and Biomolecular informatics CMBI is http://www.ch.cam.ac.uk/MMRG/CIL/cil_v2n1.html

Chemical Informatics Letters Volume 2, Issue 1; January 2001 Editor: Jonathan M Goodman News Web Sites Glossary Archive News: Science and Celera Science has accepted a human genome paper from Celera , with unusual arrangements for making the raw sequence data available. Instead of insisting that the authors deposit the data in GenBank or a similar database Science has agreed to an arrangement whereby Celera makes the information available, under some conditions. Science is keeping a copy of the database to ensure that the access will continue to be possible. A statement from the editor of Science is available Drug information A guide to more than 9,000 prescription and over-the-counter medications provided by the United States Pharmacopeia. A service of the USA National Library of Medicine. MetaChem A Web-based focal point for access to chemistry information resources of all kinds. Each resource is evaluated, classified and indexed, using the meta data recommendations of the Dublin Core. The site has over 10 000 hits a month, which is about 2-3 % of the traffic for the Cambridge Chemistry Department Web Server Centre for Molecular and Biomolecular Informatics CMBI is based at the University of Nijmegen. Until 1999, it was known as the the CAOS/CAMM Centre. The research interests of the centre include organic synthesis, genome analysis, crystal polymorph prediction, small molecule and biomolecule datamining, and macromolecular structure analysis. The centre also provides databases and software.

25. Polytechnic University [Graduate & Professional Programs: Part-Time, Evening Gra The Master of Science program in informatics in chemistry and Biology is a crucialcomponent in offering a mechanism to train individuals seeking reassignment http://www.poly.edu/polyGraduate/pteve_grad/inf_chem_bio.cfm

Bioinformatics is a relatively new branch of science that organizes and interprets the overwhelming amount of data recently available on living organisms as a result of the human genome project and follow-up projects. The need for this branch of science is very real; while it is becoming increasingly simple to obtain experimental information on DNA, RNA and protein sequences and expression levels, the interpretation of this information is far from straightforward. There is a critical scarcity of individuals with the training in biology, chemistry, computer science and the specific methods of bioinformatics to interpret this data. The need is very real in academia and especially in industry. The need for individuals with a focused expertise in bioinformatics emerged a few years ago and is growing rapidly. The Master of Science program in Informatics in Chemistry and Biology is a crucial component in offering a mechanism to train individuals seeking reassignment to fast growing bioinformatics positions within the pharmaceutical or biotechnological industries. The goal of the MS program is to fill the present educational needs with flexible on-site requirements and extensive use of Web-based or other remote access training concepts such as multimedia instruction. In addition to the traditional computer science components, the program entails training in commercial databases and exposure to theory and to hands-on experience with widely used methods in bioinformatics such as dynamic programming, profiles, hidden Markov chains and neural nets to predict protein secondary structure. Thus, the basic understanding of sequence analysis, protein structure prediction and the structure/function relationship are the core educational goals.

26. DNA Computing DNA Computing and informatics at Surfaces. Robert M. Corn, Lloyd M. Smith Departmentof chemistry University of Wisconsin, Madison, WI 53706 USA Anne E http://corninfo.chem.wisc.edu/writings/DNAcomputing.html

People Research Areas Publications Calculation Programs ... Home DNA Computing and Informatics at Surfaces DNA9 - The Ninth International Meeting on DNA Based Computers will be held on June 1-4, 2003 in Madison, Wisconsin! Go to the DNA9 web site , Get the first announcement or See the DNA9 poster! Our New Project Programmable Self Assembly of DNA-Dendrimer and DNA-Fullerene Nanostructures Robert M. Corn, Lloyd M. Smith Department of Chemistry University of Wisconsin, Madison, WI 53706 USA Anne E. Condon Department of Computer Science University of British Columbia, Vancouver, B.C., V6T 1Z4 Canada Overview Papers Figures Links ... Project Overview This research project is aimed at the development and characterization of complex mixtures of DNA molecules attached to surfaces. The attachment chemistry, hybridization chemistry and enzymatic activity of the adsorbed DNA molecules will be characterized by a variety of spectroscopic and biochemical methods, and subsequently optimized for use in (i) the manipulation of DNA sequences in molecular computing strategies and (ii) the high density storage and retrieval of information by DNA hybridization chemistry. More...

27. Study Guide > TU Wien > Faculty Of Science And Informatics > Institute Of Applie Institute of Applied Synthetic chemistry. http://www.studyguide.at/tuwien/E163.html

home feedback german Jump to: TU WIEN - Departments TU WIEN - Fields of Study TU WIEN - List of lecture-rooms Overall Search Study in Austria Study in Arts UNI WIEN UNI GRAZ UNI INNSBRUCK UNI SALZBURG TU GRAZ MONTANUNI LEOBEN BOKU WIEN VETMED WIEN WU WIEN UNI LINZ UNI KLAGENFURT BILDENDE WIEN ANGEWANDTE WIEN DARSTELLENDE WIEN MOZARTEUM SALZBURG DARSTELLENDE GRAZ KUNSTUNI LINZ TU Wien Faculty of Science and Informatics E163-Institute of Applied Synthetic Chemistry Institute of Applied Synthetic Chemistry Head of Institute Ao. Univ.Prof. DI Dr. Johannes Fröhlich Address A-1060 Wien, Getreidemarkt 9 Building Chemie-Neubau, 1. St., Zi. BI 01 B 07 Tel 01/58801/15401 oder 01/58801/16201 Fax 01/58801/15499 oder 01/58801/16299 E-Mail office@ias.tuwien.ac.at Web http://www.ias.tuwien.ac.at Secretary Mo-Fr 10.00 Uhr bis 12.00 Uhr Library Building Plan: 1001 x 2383 pxl, 127 KB 169 KB - last update: 18.07.2002 15:27 editorial staff

28. Study Guide > TU Wien > Faculty Of Science And Informatics > Institute Of Materi Institute of Materials chemistry. http://www.studyguide.at/tuwien/E165.html

home feedback german Jump to: TU WIEN - Departments TU WIEN - Fields of Study TU WIEN - List of lecture-rooms Overall Search Study in Austria Study in Arts UNI WIEN UNI GRAZ UNI INNSBRUCK UNI SALZBURG TU GRAZ MONTANUNI LEOBEN BOKU WIEN VETMED WIEN WU WIEN UNI LINZ UNI KLAGENFURT BILDENDE WIEN ANGEWANDTE WIEN DARSTELLENDE WIEN MOZARTEUM SALZBURG DARSTELLENDE GRAZ KUNSTUNI LINZ TU Wien Faculty of Science and Informatics E165-Institute of Materials Chemistry Institute of Materials Chemistry Head of Institute O.Univ.Prof. Dr. Ulrich Schubert Address A-1060 Wien, Getreidemarkt 9 Building Chemiehochhaus, Stiege II, 7. Obergeschoß, 165-AC Tel Fax E-Mail isakoch@mail.zserv.tuwien.ac.at Web http://www.imc.tuwien.ac.at Secretary Mo-Do 9-16:00 und Freitag 9-12 Library während der Sekretariatsöffnungszeiten, zuständig ist Herr Schauer E190 Secondary School Teacher Accreditation E406 Area of concentration: Mathematics (Secondary School Teacher Accreditation) E412 Area of concentration: Physics (Secondary School Teacher Accreditation) E423 Area of concentration: Chemistry (Secondary School Teacher Accreditation) ... E819 Area of concentration: Organic Chemistry and Technology Building Plan: 1001 x 2383 pxl

29. Policy Initiatives In 1996 four German learned societies comprising the fields of chemistry, informatics,mathematics, and physics - signed a formal agreement to collaborate in http://etdguide.org/content/2.5 Initiatives.htm

Policy Initiatives: National, Regional and Local; Discipline Specific; Language Specific Susanne Dobratz National For universities, it seems most practical to participate in national ETD initiatives. For those initiatives it is advisable that the National Library, which is often in charge of archiving the country’s literature, takes a leading role. We see those approaches in Germany within the Dissertation Online Initiative or in Canada. The national library organi zes not only the archive structure but also the cooperation between universities , which may serve as a central entry point to the ETD initiative for interested parties. Pricipal tasks of a so called central coordination bureau for national ETD initiatives are: providing a coordination structure for the cooperation of universities for political, organisational, technological and educational issues and developments providing an organi z ational concept for funding local or regional initiatives, therefore negociating and cooperating with national funding agencies defining special interest and working groups in which representatives from universities can participate organi z ing workshops for participating universities covering special topics in order to discuss and solve particular problems cooperating with the international initiatives, e.g. NDLTD

30. Chemo-informatics Activity. Department Of Chemistry Chemoinformatics Activity. Department of chemistry, Imperial College. We are anafiliate of the Imperial College Centre for Bioinformatics. Group activities. http://www.ch.ic.ac.uk/rzepa/informatics/

Chemo-informatics Activity. Department of Chemistry, Imperial College We are an afiliate of the Imperial College Centre for Bioinformatics Group activities The principle chemo-informatics activity resides with the group of Henry S. Rzepa Other avenues explored have included the creation of the genre of electronic conferences in organic chemical areas (the ECTOC series, of which there have been four), and major projects in collaboration with the Royal Society of Chemistry to create a new generation of chemical electronic journal (the CLIC project), the outcome of which have been several e-only new RSC journals. Most recently, our work in XML has been directed to illustrating how an XML-based chemistry journal could be used to create what we have termed the Chemical Semantic Web, in which both human perception and machine recognition and processing are used to create new forms of knowledge base. Other Web Resources In 1999, we established the www.xml-cml.org

31. Accelrys.com > Product & Services > Informatics Accelrys provides informatics tools that cover a wide variety of applicationsand data types across genetics, biology, chemistry, and materials science. http://www.accelrys.com/informatics/

@import url(/styles/products2002.css); /*IE and NN6x styles*/ CORPORATE OVERVIEW NEWSROOM EVENTS EMPLOYMENT ... CONSORTIA MEMBERS Products Modeling/Simulation Informatics Client Services Consortia ... Home Informatics Introducing Informatics Informatics technologies are those that enable the storage, management, and mining of scientific data and information. Accelrys provides informatics tools that cover a wide variety of applications and data types across genetics, biology, chemistry, and materials science. These tools apply and combine specialist technologies tailored to specific research problems or the peculiarities of scientific data for example, enabling you to work with gene sequences or 2D molecular sketches. For comprehensive background information on informatics see the informatics section in the overview of Accelrys technologies Accelrys Informatics Solutions Accelrys provides solutions ranging from desktop software tools for individual researchers to enterprise data management systems.

32. Quantum Chemistry, Chemical Informatics, Computational Chemistry - James F. Wrig QUANTUM chemistry CHEMICAL informatics. Below is a brief introduction of the Quantumchemistry and Chemical informatics required to study realworld problems. http://www.drjfwright.com/c/quantumchemistry.html

Your browser does not support script - See Text Navigation at bottom of Page JAMES F. WRIGHT, Ph.D Ltd. Co. Chemical Informatics "Monte Carlo Risk Analysis and Due Diligence of New Business Ventures" is an important new book by Dr. Wright. It was published on October 15, 2002, and is available at retail outlets. Click on the red book title above for more information. Navigation Bar Place mouse on line with symbol to expand menu. CHEMICAL INFORMATICS Below is a brief introduction of the Quantum Chemistry and Chemical Informatics required to study real-world problems I have used Quantum Mechanics, Quantum Chemistry, and Chemical Informatics to aid in the design and analysis of the following systems. Calculated UV, IR and NIR Spectra, Reaction Probabilities, Solvating Parameters, and Ground-State Molecular Geometry for Organic and Inorganic Molecules using Ab Initio and Semi-Empirical techniques. Catalogued and sorted electronic spectra of dyes. Studied Nuclear Structure by developing the Theory and computational Computer Programs to calculate Five-Particle, Spin-Dependent Eigenvalues. Created Chemical Informatic Data Base for Disperse Dye Molecules.

33. Computational Chemistry Modeling, Thermodynamics, Mechanics, Monte Carlo Simulat A. Monte Carlo Simulation B. Thermodynamics Chemical Process Modeling C. MechanicalDynamics Modeling D. Quantum chemistry and Chemical informatics. http://www.drjfwright.com/c/computationalmodeling.html

Your browser does not support script - See Text Navigation at bottom of Page JAMES F. WRIGHT, Ph.D Ltd. Co. Computational Modeling "Monte Carlo Risk Analysis and Due Diligence of New Business Ventures" is an important new book by Dr. Wright. It was published on October 15, 2002, and is available at retail outlets. Click on the red book title above for more information. Navigation Bar Place mouse on line with symbol to expand menu. COMPUTATIONAL MODELING OF REAL-WORLD SYSTEMS A brief summary of his Qualifications and Experiences as a Computational and Theoretical Consultant can be examined by following the four Links below. A. Monte Carlo Simulation Modeling C. Mechanical Dynamics Modeling D. Quantum Chemistry and Chemical Informatics. Dr. Wright's unique Quick Question? Quick Answer! program may provide you with the just the answers you need to make a knowledgeable and timely business decision! An important part of developing and evaluating new technical processes and products is computational modeling. There are also scenarios where a computational model can be constructed that will help design technical products or processes that are similar, or complimentary, to existing systems. This process will generally produce substantial savings in time and money while producing significant accuracy in the new design. However, either a prototype or pilot plant will still usually need to be constructed in order to fine-tune the final production model.

34. CMBI Course Programme The idea is that a student with a background in biology will, for example, followsome classes in chemistry, informatics and medicine; a student with a http://www.cmbi.kun.nl/edu/students/master_class.shtml

Centre for Molecular and Biomolecular Informatics University of Nijmegen , Toernooiveld 1, P.O. Box 9010, 6500 GL Nijmegen, +31 (0)24-3653391, postmaster@cmbi.kun.nl Main Search A Master Programme in Bioinformatics The C M B I offers a master programme in bioinformatics. This is a one or two year course leading to the Master of Science degree in Bioinformatics. The programme is available to students with a Bachelor's degree (or comparable training) in (a study point is equivalent to a course of one week): medicine (preferably with some chemistry and a computer course). We only encourage students of medicine who took courses in cell biology, molecular biology, etc. Students with a Bachelor's in pathology, child psychology, dental care, or surgery are not likely to be adequately prepared for bioinformatics. biology (preferably with some chemistry and a computer programming course). chemistry (preferably with some biology and a computer programming course) information technology (provided they have a deep interest in biology) life sciences, natural sciences; other combinations of medicine, physics, chemistry and biology are likely to be acceptable too.

35. IU Informatics >> MS In Chemical Informatics with undergraduate degrees in chemistry (typically 25 or more credits in chemistryor biochemistry courses) will need some preparative work in informatics. http://www.informatics.indiana.edu/academics/graduate_ms_chem.asp

Home For Students For Alumni Upcoming Events ... IUPUI New Media Graduate Programs Master of Science in Chemical Informatics Complementing the joint School of Library and Information Science/Department of Chemistry Chemical Information Specialization for the Master of Information Science and Master of Library Science degrees, the proposed Master of Science degree in Chemical Informatics significantly broadens the scope of options for those with chemistry training and an interest in chemical information technology. Overview About chemical informatics, career options Prerequisites Experience needed in chemistry and informatics before enrolling Requirements Courses needed to achieve degree: electives, core courses... Contact Information For more information on the Chemical Informatics program in Bloomington, please contact: Gary Wiggins , Director Admissions Courses Degrees Minors and Certificates ... Bulletins Indiana University School of Informatics http://www.informatics.indiana.edu/academics/graduate_ms_chem.asp Indiana University informat@indiana.edu Page Last Modified: Friday, March 28, 2003, 12:23:46 PM

36. IU Informatics >> Cognates CHEM C341 Organic chemistry Lecture I (3cr.); CHEM C342 Organic chemistry LectureII (3cr.); CHEM C371 Chemical informatics I (1cr.); CHEM C372 Chemical http://www.informatics.indiana.edu/academics/cognates.asp?cognate=Chemistry

37. Present State And Concept Of The Faculty Of Science, P Mathematics and Physics; and in all joint degree programmes in combinations ofstudy branches Biology, Geography, chemistry, informatics, Mathematics and http://www.science.upjs.sk/English/public_media/conception.html

Present state and concept of the Faculty of Science, P. J. Šafárik University in Košice for the period 2001 – 2005 The Faculty of Science, P. J. Šafárik University, second centre of natural science in Slovakia, was founded in 1963 and since then it has educated almost 4000 graduates of single and joint degree study branches of natural science. Within latest evaluation of faculties at universities in Slovakia, the Faculty of Science was ranked an „a“ (excellent faculties). Both its quality of educational and research activities, and gradual integration into programmes of European collaboration in the field of science and higher education represent a real chance for the Faculty to find its respected place in the community of leading European institutions of higher education. The Institutional Development Programme of the Faculty of Science, P. J. Šafárik University leans to the full on main recommendations and guiding principles in the field of higher education stated in Bologna declaration of European Ministers of Education on European Space for Higher Education, in World Declaration on Higher Education for the Twenty-first Century and on Concept for further development of higher education in Slovakia. The Faculty of Science, P. J. Šafárik University considers the following priorities to be main:

38. Informatics - IUPUI Prospective students for graduate study in chemical informatics will be expectedto have training in both informatics and chemistry. informatics and chemistry. http://www.informatics.iupui.edu/Academics/graduate_chem.shtml

Mission Statement What is Informatics? Dean's Message Undergraduate Programs ... Oncourse Graduate Programs - Chemical Informatics Chemical Informatics Plan of Study Complementing the joint School of Library and Information Science/Department of Chemistry Chemical Information Specialization for the Master of Information Science and Master of Library Science degrees, the Master of Science degree in Chemical Informatics significantly broadens the scope of options for those with chemistry training and an interest in chemical information technology. Prospective students for graduate study in chemical informatics will be expected to have training in both informatics and chemistry. If sufficient background has not been completed additional coursework may be necessary to ensure progress through the program.

39. Informatics - IUPUI INFO I501 Introduction to informatics (3 cr). INFO I502 Information Management (3cr) P INFO I501. CHEM 696 Special Topics in chemistry (33 cr) (Course content http://www.informatics.iupui.edu/academics/chem_plan.shtml

Mission Statement What is Informatics? Dean's Message Undergraduate Programs ... Oncourse Graduate Programs - Chemical Informatics Plan of Study Chemical Informatics Plan of Study in .pdf format for convenient printing Informatics Core Courses: (12 credit hours) INFO I501 Introduction to Informatics (3 cr) INFO I502 Information Management (3 cr) P: INFO I501 CHEM 696 Special Topics in Chemistry (3-3 cr) (Course content changes each semester.

40. Pharmacopeia 1997 Annual Report - Computational Chemistry And Informatics The Company's informatics group has designed systems that accurately and securely messageis sent to Pharmacopeia's Analytical chemistry department requesting http://www.pharmacopeia.com/corp/IR/ir_ar_97/ann9705.html

"One of Pharmacopeia's key assets is the information generated from the screening of millions of compounds. My job is to ensure that our computer systems fully leverage this information to accelerate drug discovery. I believe over the next several years, Pharmacopeia could be as much an information-based company as it is a product-based company." Peter Gund, Executive Director, Information Services Computational chemistry is the use of computers to design those chemical compounds which are most likely to interact with a biological target to treat disease. Pharmacopeia's computational chemists, who come from leading pharmaceutical companies and academic laboratories, have access to a wide range of commercially available and proprietary structure-guided and rational drug design tools, including applications created by the Company's founders. Structure-guided design is used when, for example, the enzymatic mechanism of action is well established or when the three dimensional structure of a biological target is known, from sources such as X-ray crystallography or NMR analysis. However, for most biological targets, no such data exists. With little or no information to guide the design process, the success of these "discovery" programs depends on the design and screening of very large, diverse collections of drug-like compounds. Because Pharmacopeia's large Discovery Libraries cover a greater amount of chemical space than smaller libraries, the chances of identifying active compounds are increased. Pharmacopeia's ability to rapidly make and screen these large, diverse collections has resulted in the identification of thousands of active compounds.

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