ISIS/Draw
SIS/Draw is a chemically intelligent
drawing program that understands the
fundamentals of chemistry such as
valence limits, bond angles, and aromatic
ring systems. This understanding enables
users to create chemical graphics intuitively,
which can be inserted into documents or
used to build and search databases of 2D
and 3D molecules, polymers, and reactions.
I
Create Publication Quality
Graphics
With ISIS/Draw, scientists can graphically
represent almost any kind of chemical or
polymer structure for use in reports, publications, and presentations.
• Sketch large biomolecules with ease and
speed: Draw complicated structures
including DNA, RNA, and amino acid
sequences using special shortcut tools.
• Create many types of polymer
structures: including homopolymers;
source-based polymers; structure-based
polymers; copolymers; crosslinked polymers; branched polymers; graft polymers;
and statistical, random, and unspecified
copolymers.
• Control the display of your structures:
Scale atom labels, bonds, and other
chemical attributes proportionally to
make sketches easier to read.
• Speed drawing using templates: Create
structures by piecing together predrawn
templates of commonly used structures.
Design your own template structures to
reuse later.
• Use flexible drawing tools: Create multiple
groups, drag out chains of atoms, automatically scale brackets, easily identify
and manipulate specific atoms and bonds,
clean structures, and apply various drawing
defaults.
• Publish your drawings: Use professional
format configuration files predefined for
specific journals or internal presentations.
• Post structures on the Web: Combine
ISIS/Draw with MDL’s Chemscape to
post your structures on any HTML page.
Build Structure Databases
Any chemical structure supported by
ISIS/Draw may be registered into an
ISIS/Host or ISIS/Base database.
• Draw all types of structures: Use your
drawings to build databases of 2D and
3D molecules, reactions, and polymers.
Figure 1: When drawing polymers in ISIS/Draw, the bracket tool presents the user with a full
range of polymer types from which to choose. Data such as weight percentages can be
attached to polymer components and searched on later as part of the database.
Figure 2: Flexible tools in ISIS/Draw make it easy to draw peptides and other large molecules. The Sequence Tool gives you two options: Type in the amino acid abbreviations to
build the structure, or simply click on the appropriate amino acid residues in the Residue
List. To complete the drawing, orient the structure using the Sequence Shape Tool.
Figure 3: Use ISIS/Draw to draw reactions for publishing or for inclusion in an ISIS reaction
database. The arrow tool provides a variety of options for tailoring your sketch.
• Intuitively create reaction databases:
Simply draw the reaction as you would
on paper,complete with + signs and arrows;
ISIS/Draw will interpret the drawing and
produce chemically intelligent reactions.
• Attach substructure information: Assign
properties or values for any collection of
components, atoms and bonds, including
IR, NMR, and other spectroscopic data,
weight and mole percentages, and tacticity
information.
Information Systems, Inc.
ISIS/Draw
Polymer
Reaction
Methods
ACD
Server
Drug
Information
3D
Libraries
in
ORACLE
Corporate
Inventory
ISIS Backbone
ISIS for Excel
ISIS/Draw
Spreadsheet
ISIS/Base
ISIS/Draw
ChimePro
ISIS/Draw
Database
Internet/Intranet
Project Library
ISIS/Draw
Combinatorial
Chemistry
Desktop
Data
in
ORACLE
Corporate
Molecule
Information Systems, Inc.
WWW
Databases
Online
Compose Database Queries
The ISIS Family
Use ISIS/Draw to create structure
queries for local or server databases of ISIS
molecules, polymers, or reactions.
Since 1991, ISIS solutions have provided an
information management architecture that
supports the registration, retrieval, display, and
analysis of all types of scientific information.
ISIS applications, which support compound
discovery research and development, are used
by the pharmaceutical, biotech, agrochemical,
and chemical industries worldwide. ISIS /Draw
works together with MDL’s ISIS/Base, ISIS
for Microsoft Excel, Chemscape Chime Pro,
and Project Library.
• Utilize special search options: Easily
define polymer, biomolecule, and 3D
searches.
• Define your structure query: Use a full
range of structure attributes such as
substructure; location of single, double,
aromatic bonds; lists of atoms; and
stereochemistry.
• Verify suitable structures or reactions:
Chem Inspector automatically checks
the validity of structures and reactions
for ISIS database registration and
searching.
ISIS/Draw Communicates
Because ISIS/Draw adheres to platform
standards, you can easily integrate your work
with other applications such as Microsoft
Word, Microsoft Excel, Lotus 1-2-3, Aldus
Persuasion, and Microsoft Powerpoint.
You can move your drawings between
applications by simply cutting and pasting.
Or, by taking advantage of Publish and
Subscribe on the Macintosh or OLE on
Windows, you can ensure that the most upto-date version of your drawing automatically
appears everywhere you want it, eliminating
repetitive cutting and pasting.
About MDL
MDL Information Systems (“MDL”)
is the recognized leader in discovery informatics for the life sciences and chemistry
in industry and academia. MDL software,
content, and services provide the enterprisewide discovery informatics framework for
comprehensive and successful discovery
research. We are an international business
headquartered in San Leandro, CA with
offices worldwide. MDL Information
Systems, Inc. is a wholly owned subsidiary
of Elsevier Science, Inc.
U.S.A.
World Headquarters & Western Sales
14600 Catalina Street
San Leandro, CA 94577
TEL: (510) 895-1313
FAX: (510) 483-4738
www.mdli.com
Eastern Sales
163 Madison Avenue, 4th Floor
Morristown, NJ 07960
TEL: (973) 299-3991
(800) 401-4321
FAX: (973) 299-3994
Europe
Headquarters
MDL Information Systems AG
Gewerbestrasse 12
CH-4123 Allschwil 2
Switzerland
TEL: +41 61-486-88-88
FAX: +41 61-486-88-89
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TEL: +49 221-16025-255
FAX: +49 221-16025-68
Authorized Agent Scandinavia
Oslo Office
TEL: +47-22-44575-6
FAX: +47-22-43416-6
Paris Office
TEL: +33 1-45 36 80 00
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MDL GmbH
MDL Information Systems GmbH
Theodor-Heuss-Allee 108
D-60486 Frankfurt, Germany
TEL: +49-69-5050 4242
FAX: +49-69-5050 4245
United Kingdom
Headquarters
MDL Information Systems (UK) Limited
Ground Floor, Building 4
Archipelago
Lyon Way
Camberley
Surrey GU16 5ER
England
TEL: 44 (0)1276 701500
FAX: 44 (0)1276 701501
Japan
MDL Information Systems Japan K.K.
Kojimachi M Bldg., 3F
3-12-12 Kojimachi
Chiyoda-ku
Tokyo 102
Japan
TEL: +81-3-3230-2641
FAX: +81-3-3230-2761
MDL is a registered trademark in the United
States, Chemscape and Chime Pro are registered
trademarks, and ISIS and Project Library are
trademarks of MDL Informations Systems, Inc.
Microsoft is a registered trademark of the
Microsoft Corporation in the United States
and/or other countries. Oracle is a registered
trademark of the Oracle Corporation in the
United States and/or other countries. All other
product names may be trademarks or registered
trademarks of their respective holders, in the
United States and other countries.
© Copyright 2000 MDL Information Systems,
Inc. All rights reserved. ISISDrawDS/08-00/PDF