Download new desktop office for chemists

NEW PRODUCT ANNOUNCEMENT
19th December 2000
Editorial contacts:
Roger Bilder, 01462 480055
Juliette Hatt, 01462 480055
NEW DESKTOP OFFICE FOR CHEMISTS
ChemOffice 2001 delivers E-Lab Notebooks, Excel and Word
add-ins and enhanced versions of component programs
Adept Scientific announces a brand-new version of CambridgeSoft’s market-leading “desktop
office” for chemists. ChemOffice 2001 incorporates the latest versions of ChemDraw, the
chemical structure drawing software; the molecular modelling package Chem3D; and the
chemical information program ChemFinder. New electronic laboratory notebooks make it easy
for chemists to store and access their work; and tight integration with Microsoft Office allows
them to search for chemical structures in both Word and Excel, and to store and sort structures
in spreadsheet cells. Tools for combinatorial chemistry, stereochemistry, structure-activity
relationship (SAR) tables, stoichiometric calculations and the automatic generation of
structures from chemical names are included, as well as extensive chemical databases and
powerful Web search features.
At the core of ChemOffice 2001 is the world’s leading chemical structure drawing
program, ChemDraw 6. Released earlier this year, ChemDraw 6 delivers a
comprehensive set of tools for drawing and publishing, predicting physical properties,
predicting and displaying NMR data, cleaning up structures, querying
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IMMEDIATE – CHEMOFFICE 2001
19th December 2000
chemical information databases, and generating chemical structures simply by typing
in the compound name. In its latest ChemOffice 2001 incarnation, ChemDraw 6 has
been additionally enhanced with new menu items for calculating the Water/Octanol
partition coefficient (CLogP) and Molar Refractivity (CMR).
ChemDraw 6 also offers stereochemical display and recognition, supports quadruple
bonds and long aliphatic chains, and reads SMIRKS reaction files. The software is
chemically intelligent: it understands valence and bonding, expands and contracts
groups and atom labels, and automatically alerts users to potential chemical errors. A
Web plug-in lets chemists formulate queries for searching reaction databases on-line,
and publish structures on the Web.
ChemOffice 2001 brings electronic lab notebooks to the chemist’s desktop. The E-Lab
Notebook is designed to help organic chemists keep track of lab work in a fully
searchable electronic environment. The principal functions of the notebook are to store
collections of organic reactions, to perform related stoichiometric calculations, and to
track other related data such as laboratory procedures. Features include in-place
editing of ChemDraw reaction drawings with the ChemDraw ActiveX control,
automatic stoichiometry and full integration with Microsoft Office.
For molecular modelling and computational chemistry, there is a brand-new version
of Chem3D, which makes it easy to convert ChemDraw or ISIS Draw sketches into 3D
models, then use molecular mechanics to find low energy conformations and
semi-empirical methods to visualise molecular surface properties. New Chem3D 6
offers many new features including visualisation of Connolly Surfaces, and interfaces
to the molecular analysis programs GAMESS and Gaussian.
ChemFinder is the ChemOffice component for creating and searching chemical
databases. New ChemFinder 6 offers fast structure and sub-structure searching, more
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IMMEDIATE – CHEMOFFICE 2001
19th December 2000
flexible form design and customisation, and ODBC compliance to assure compatibility
with most database formats including Oracle and Microsoft Access.
ChemFinder 6 integrates ChemOffice 2001 with Microsoft Office, providing a
comprehensive desktop solution for most of the chemist’s day-to-day work.
ChemFinder for Excel allows chemists to use their spreadsheet skills to view, sort and
manipulate chemical structures, sub-structures and properties within Excel. It
provides the ability to display structures within spreadsheet cells, convert a name to a
structure, filter tables of structures and use Excel’s search and sort features.
Spreadsheets are a good means of managing combinatorial experiments, and the
CombiChem feature lets chemists build combinatorial libraries with embedded
ChemDraw structures, derived from all combinations of the reactants used, within an
Excel spreadsheet which can then be used to screen candidates, generate files for
synthesizers and track plate layouts. Calculations of physical properties such as
molecular weight, Log P, boiling and freezing point are performed within Excel to
determine which compounds to synthesize; CombiChem will then configure synthesis
plates in which to run the reactions.
In the past, preparation of structure-activity relationship (SAR) tables was a laborious,
manual task for chemists. A new tool called ChemSAR works within Excel to
automate and streamline this process, with analysis tools such as multiple regression
techniques and rune plots.
ChemFinder for Word is a program for locating and managing chemical information
stored in diverse data sources, whether on local media or a global network. As well as
Microsoft Word documents containing embedded ChemDraw structures, chemists
can locate structures in databases, SD files, Excel spreadsheets and more.
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IMMEDIATE – CHEMOFFICE 2001
19th December 2000
ChemOffice 2001 ships with its own comprehensive database collection, ChemInfo 6.
This extensively updated version includes databases such as ChemACX, the directory
of commercially available chemicals with over 200 supplier catalogues and hundreds
of thousands of chemical products; and the ChemINDEX collection which now
includes the National Cancer Institute database of over 200,000 molecules, with
anti-HIV and anti-cancer assay data.
ChemOffice 2001 is available from Adept Scientific in Ultra and Pro versions. Many of
the component programs including ChemDraw 6 and Chem3D 6 are also available
separately, and there is a WebServer version of ChemOffice too. There is a choice of
multi-user licences for all versions, and special prices for educational establishments.
ChemOffice 2001 and other products in the CambridgeSoft range are supplied and
supported by Adept Scientific plc, Amor Way, Letchworth, Herts. SG6 1ZA;
telephone (01462) 480055, fax (01462) 480213, email [email protected]; or see
Adept’s World Wide Web site http://www.adeptscience.co.uk/. Adept
Scientific is one of the world’s leading suppliers of software and hardware products
for research, scientific, engineering and technical applications on desktop computers.
ChemOffice 2001 can also be purchased on-line from Adept Scientific’s WebStore at
http://www.adeptstore.co.uk/.
-ends-
Illustration: New ChemOffice 2001 from Adept Scientific provides a comprehensive
desktop office suite for chemists.
This press release is also available for download in electronic format at
ftp://ftp.adeptscience.co.uk/pub/pr/
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IMMEDIATE – CHEMOFFICE 2001
Please forward Reader Enquiries to:
Anna Moorhouse, Adept Scientific plc
Amor Way, Letchworth, Herts. SG6 1ZA
Tel: 01462 480055 Fax: 01462 480213 Email: [email protected]
19th December 2000