March 1999 - chemweb - imperial.ac.uk

MDL UNVEILS A "SMART" SYSTEM FOR MANAGING RESEARCH INVENTORIES
by Dori Luzbetak 18 Mar '99

18 Mar '99

CONTACTS: Céline Fleur MDL Information Systems, Inc. (510) 895-1313 ext. 1285 cfleur(a)mdli.com http://www.mdli.com European mirror site: http://www.mdli.co.uk MDL UNVEILS A "SMART" SYSTEM FOR MANAGING RESEARCH INVENTORIES --Sample Management and Reagent Tracking (SMART) Provides Web-Based Interface for Enterprise-Wide Management of Material Inventories-- SAN LEANDRO, California--March 11, 1999--MDL Information Systems, Inc., the recognized leader in discovery informatics for the life science and chemical industries, today introduced its Sample Management and Reagent Tracking (SMART) system, a modular software application designed for enterprise-wide management of material inventories in high-throughput discovery environments. During Spring ACS '99, MDL will demonstrate SMART, and show how it integrates with other MDL products to support the discovery workflow, from March 22-24, at the Anaheim Convention Center, Booth 819 in Anaheim, California. SMART provides a core set of modules that address and integrate the workflow of managing inventory throughout its life cycle from pre-acquisition through container disposal. The Web-based interface simplifies access to a material's location, availability, restrictions, costs, hazards, and MSDS safety data. It includes business functions such as shopping for commercial reagents, ordering and tracking in-house reagents, bar coding samples at the receiving dock, and searching by chemical structure, name, or manufacturer. "The entire discovery process has changed in both volume and scope, and cost-efficient and timely access to research materials is crucial" reports Phil McHale, MDL vice president of product marketing. "SMART integrates scientific and business processes with physical inventory to meet the requirements of modern discovery, replacing methods that otherwise are time-consuming and costly. Inventories have become more diverse, encompassing not only increasing quantities of chemicals, but hazard information, safety protocols, and decidedly 'non-chemical' materials, such as cabinets and biological assay kits." McHale continues, "Everyone in the organization who needs inventory information, from workers on the receiving dock and business planners to scientists in the lab, will have access to the information in one flexible system-SMART." SMART's Core Features Increase Efficiency and Reduce Costs SMART provides the ability to * Locate in-house samples and commercial materials by searching any combination of data, including structures. * Order materials from vendors and from in-house stockrooms. * Register samples received from vendors and track proprietary compounds and data. * Maintain a barcode labeling system. * Update inventory contents in real time. * Integrate with existing MDL discovery informatics systems. * Access MSDS information stored in MDL's Occupational Health and Safety (OHS) database. * Access commercial availability information stored in MDL's Available Chemicals Directory (ACD). * View and print standard reports. * Easily reconcile actual inventories against the database. * Manage system administrative details. SMART Architecture SMART Product Marketing Manager Charles Sullivan explains, "Flexible and adaptable information systems are crucial to our customers. We've created a layered and modular inventory system that encompasses the complexity of today's high-throughput discovery processes by integrating key steps in the workflow-such as materials ordering, purchasing, intelligent chemical inquiry, and locating processes-with an easy-to-use interface. The architecture, with its core functionality and add-on modules easily integrates with a company's existing infrastructure." Sullivan continues, "To provide these capabilities, we built SMART using MDL's ISIS and Chemscape technologies." The SMART architecture is flexible and adaptable because it divides the application into three layers: 1. The application layer provides core functionality, and encapsulates a company's business rules, query logic, processing rules, and integration information. 2. The user interface occupies a separate layer. The interface is detached from the server-side functionality, so modifying the interface is straightforward. MDL's use of Web technology ensures cross-platform compatibility on the client side. 3. Both proprietary and non-proprietary inventory data are housed in the database layer. For example, non-proprietary supplier data in the Chemical Products Information (CPI) File--the relational version of ACD--is housed in the database layer. Optional Modules The SMART architecture permits the easy addition of optional modules to enhance the core functionality. The purchasing module, for example, enables organizations to link SMART directly to purchasing systems such as those in SAP R2 or R3, and the electronic balance interface reads weights directly from balances into SMART. System Requirements MDL built SMART on industry-standard tools Java Script and Oracle PL/SQL, and MDL's Chemscape and ISIS technologies. SMART is designed to stand-alone or to seamlessly integrate with other MDL tools, including Reagent Selector, which provides integrated tools for selecting reagents. A key SMART component is ISIS/Draw, a chemically-intelligent drawing package used to create chemical graphics and structural inquiries for searching ISIS databases. SMART runs with Netscape Navigator 4.0.5 or higher, Internet Explorer 4.0, and requires Oracle, ISIS/Host, Chemscape, and Netscape Enterprise Server. The next version of SMART, scheduled for mid-1999 release, will run on Microsoft Internet Information Server (IIS). About MDL MDL Information Systems, Inc. is the recognized leader in discovery informatics for the life science and chemical industries. MDL's software, content, and services provide the enterprise framework for identifying successful new products. A wholly owned subsidiary of Elsevier Science, MDL has offices worldwide with headquarters in San Leandro, California. ### MDL is a registered trademark and Available Chemicals Directory, Chemscape, ISIS, and Reagent Selector are trademarks of MDL Information Systems, Inc. Microsoft is a registered trademark of the Microsoft Corporation. Oracle is a registered trademark of the Oracle Corporation. All other product names may be trademarks or registered trademarks of their respective holders. Dori Luzbetak Web Communications Manager Marketing Communications MDL Information Systems, Inc. 14600 Catalina Street San Leandro, CA 94577 (510) 895-1313 x1652 (510) 614-3608 - FAX dori(a)mdli.com chemweb: A list for Chemical Applications of the Internet. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)

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Source for Scientific Internet Resources
by Rzepa, Henry 17 Mar '99

17 Mar '99

We are all familiar with eg ChemDex types of services, which deal specifically with chemical Internet resources. http://bubl.ac.uk/link/sci.html is a general one, which however has some excellent chemical pointers, and appears very up to date and relevant. Well worth taking a look at. Dr Henry Rzepa, Dept. Chemistry, Imperial College, LONDON SW7 2AY; mailto:rzepa@ic.ac.uk; Tel (44) 171 594 5774; Fax: (44) 171 594 5804. URL: http://www.ch.ic.ac.uk/rzepa/ chemweb: A list for Chemical Applications of the Internet. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)

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Chemint99.
by Rzepa, Henry 17 Mar '99

17 Mar '99

This note is to announce that the web Abstract Submission form is now operational for the Chemistry and the Internet (ChemInt'99) meeting being held in at Georgetown University in Washington DC on September 25-27, 1999. http://www.ijc.com/ci1/chemint98.form.html The program of invited speakers and panel members of the 3 panel sessions is available on the meeting web site - http://www.chemint.org/ Please note that slide displays from last years meeting are also available for inspection on this site. You are urged to look at the program and to consider submitting a poster paper to the meeting. A number of poster papers will be selected for oral presentation at the meeting. The main lecturers for the meeting will be: Alan Arnold, University College (UNSW) Steven Bachrach, Northern Illinois University Robert Bovenschulte, ACS Stephen Boyer, IBM Karl Harrison, Oxford University Clemens Jochum, Deutsche Bank Gary Mallard, NIST Tom Pierce, Rohm & Haas Jerome Reichman, Vanderbilt Achim Zielesny, Bayer AG Steven S. Zumdahl, University of Illinois at Urbana-Champaign The (current) corporate sponsors for the meeting are: ChemWeb and the Internet Journal of Chemistry Technical Sponsors are: ACS CINF Division ACS COMP Division The Chemical Structure Association (CSA) Georgetown University - Department of Chemistry International Union of Pure and Applied Chemistry (IUPAC) (pending) Japan Association for International Chemical Information (JAICI) Special Libraries Association (SLA) Chemistry Division Royal Society of Chemistry (RSC) Dr Henry Rzepa, Dept. Chemistry, Imperial College, LONDON SW7 2AY; mailto:rzepa@ic.ac.uk; Tel (44) 171 594 5774; Fax: (44) 171 594 5804. URL: http://www.ch.ic.ac.uk/rzepa/ chemweb: A list for Chemical Applications of the Internet. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)

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Molecular Models
by engel＠iname.com 17 Mar '99

17 Mar '99

Molecular Models [Chemscape Chime] http://www.sci.ouc.bc.ca/chem/molecule/molecule.html Created and maintained by Dr. Dave Woodcock of the Chemistry Department at Okanagan University College in British Columbia, Canada, this site features models of over 1,100 molecules in .pdb, or Chemscape Chime, format (link to free download provided). Users may search the molecular database using an internal search engine or browse by category or alphabetically. Index page entries include the molecule's name, formula, molar mass, and comments. The site also features more detailed models of selected molecular fragments. [MD] "From the Scout Report, Copyright Internet Scout Project 1994-1999. http://scout.cs.wisc.edu/" ------------------------------------------------------ Get free personalized email at http://four11.iname.com chemweb: A list for Chemical Applications of the Internet. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)

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Warr pages updated
by Dr. Wendy A. Warr 16 Mar '99

16 Mar '99

Colleagues, Please excuse duplicate postings. We have done a significant amount of updating at http://www.warr.com. If you have not visited recently, do have a look. In addition you might like to have a virtual breakfast with me at 8am PST (4 pm GMT) on March 21, 22, 23 or 24. It's free! Enjoy it over afternoon tea instead of breakfast if you're in the UK. Sunday's show is an introduction to the National ACS meeting. Monday's show concerns molecular modeling. Tuesday's is about combinatorial chemistry in materials science/catalysis and Wednesday's is a surprise package. Further details are at the registration site http://chemweb.vei.co.uk (pick Event 15). Do please join in - it's much more interesting when we get a big [virtual] audience. Wendy -- Dr Wendy A Warr Wendy Warr & Associates, 6 Berwick Court Holmes Chapel, Cheshire CW4 7HZ, England Tel/fax +44 (0)1477 533837 wendy(a)warr.com http://www.warr.com chemweb: A list for Chemical Applications of the Internet. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)

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Urgent: Distillation(BTEX/BTX) Problem
by tewoei 11 Mar '99

11 Mar '99

Hello all, I am a chemical engineering student in my final year at the University of Oklahoma working on the final project. In this project, I am required to look for new industrial technology/technologies to separate Benzene, Toluene, Ethylbenzene, o-xylene, m-xylene, p-xylene, and cumene from each other. I am concentrating on the process to separate Benzene, and Toluene, from Ethylbenzene, o-xylene, m-xylene, p-xylene, and cumene. (BTEX) or BTX. The common technology used in separating Benzene, and Toluene, from Ethylbenzene,m o-xylene, m-xylene, p-xylene, and cumene is distillation column with the requirement of intensive energy. I need to look for new technology/technologies in:- a. membrane b. zeolites c. pressure swing adsorption I have been doing a lot of literature reviews. I can only find materials on distillation and nothing new for BTEX. I would appreciate it if someone could point me the right direction. Please reply if you have any material or people of reference that would be of assistance. Thank you. PS. I am attaching a gif file for further illustrations. Te W. Poon twpoon(a)ou.edu

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"Curly Arrows" on the Web
by Lucio Pellacani 09 Mar '99

09 Mar '99

I tried it with success (PC, Netscape 4.5). It seems to me very useful to help students. Best regards Lucio Pellacani *********************************** Prof. Lucio Pellacani Dipartimento di Chimica Universita' degli Studi di Roma La Sapienza P.le Aldo Moro 2 Box n. 34 I-00185 Roma 62, Italy tel. +39.06.49913673 fax +39.06.490631 e-mail pellacani(a)uniroma1.it URL http://www.chem.uniroma1.it/~pellacan/ ****************************** chemweb: A list for Chemical Applications of the Internet. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)

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Getting started with Java
by RAY, Nick 08 Mar '99

08 Mar '99

Dear Chemwebbers, I'm starting to (try and) teach myself the basics of Java programming with a view to seeing to what applications we can put it towards within our team. As a practising organic chemist with an interest in IT (and not the other way around), can anyone advise/direct me on suitable resources to get started? Or, to put it another way, how did you all learn? As this may be elementary for most of you, please reply privately to the address below, Thanks, Nick Ray ***************************************** Nick Ray, PhD, Leading Chemist - Lead Generation Rhone-Poulenc Agriculture nick.ray(a)ongar.rhone-poulenc.com ****************************************** chemweb: A list for Chemical Applications of the Internet. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)

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Silicon Graphics NT Workstations
by Dr. Wendy A. Warr 06 Mar '99

06 Mar '99

Some time ago I put a message on these lists (excuse duplicates) about the new Silicon Graphics NT workstations. This hardware will be mentioned in a virtual meeting with which I am involved on March 22. I would be very grateful for any suggestions for questions I can put to SGI (I wont broadcast your name!), especially questions from UNIX fans. Reply to wendy(a)warr.com, not to the whole list, if your answer is private. Wendy -- Dr Wendy A Warr Wendy Warr & Associates, 6 Berwick Court Holmes Chapel, Cheshire CW4 7HZ, England Tel/fax +44 (0)1477 533837 wendy(a)warr.com http://www.warr.com chemweb: A list for Chemical Applications of the Internet. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)

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"Curly Arrows" on the Web - request for feedback (fwd)
by Paul May 02 Mar '99

02 Mar '99

Hi, > I am hoping that some of you will be able to help us, please. > > We are in the process of developing a CAL application designed > to help students to develop the skill of writing "curly arrow" > reaction mechanisms, by giving a large number of examples to be > used for practice, with feedback on incorrect attempts. I tried it using a PC, Netscape 4.5 and Java 1.1 and it seemed to work very nicely indeed. One suggestion might be to include hints or help for students that get stuck. Regards, ------------------------------------------------------------------------- Dr Paul May, School of Chemistry, University of Bristol, UK tel: +44 (0)117 928-9927, fax: +44 (0)117 925-1295 <mailto:paul.may@bris.ac.uk> <http://www.bris.ac.uk/Depts/Chemistry/staff/pwm.htm> ------------------------------------------------------------------------- chemweb: A list for Chemical Applications of the Internet. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)

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