Molecular modelling,drawing, molecular mechanics, Semi-empirical calculations, structure display
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  ChemOffice Ultra 2004

This product has now been discontinued

This ultimate suite includes ChemDraw Ultra 8.0, Chem3D Ultra 8.0 and ChemFinder Ultra 8.0. It adds E-Notebook Ultra 8.0, BioAssay Pro 8.0, MOPAC, Gaussian & GAMESS interfaces, 3D Query/Finder, Purchasing for Excel, CombiChem/Excel, as well as the complete set of ChemInfo databases, to ChemOffice Pro.

Applications Included

ChemDraw Ultra 8.0
ChemDraw ActiveX/Plugin Pro 8.0
Chem3D Ultra 8.0
Chem3D ActiveX Pro 8.0
ChemFinder Ultra 8.0
E-Notebook Ultra 8.0
BioAssay Pro 7.0

Features Included (W or M indicates Win or Mac availability) *

ChemDraw Spotfire
(W) View structures within DecisionSite from ChemFinder or Registration System. Integrate chemical and biological data, and perform substructure or text searching. Requires Spotfire DecisionSite.

ChemNMR Enhanced
(W, M) Proton NMR prediction now contains proton-proton splitting patterns. Enhanced accuracy of Carbon-13 shift values. View QuickTime Demo

Struct=Name Enhanced
(W, M) Generate systematic names for chemical structures with support for the Cahn-Ingold-Prelog rules for stereochemistry. Read White Paper (PDF) View QuickTime Demo

Query/Finder (W) Query ChemFinder database by 3D parameter.

3D Glasses
(W) Included glasses provide enhanced stereo-mode with depth shadings to give realistic 3-dimensional quality to all Chem3D renderings.

Enhanced Graphics
(W) Chem3D uses openGL to provide high quality graphics display. View QuickTime Demo

Structure Perspective Tool
(W, M) Adjust the perspective of ChemDraw molecules with simple horizontal/vertical mouse movements. View QuickTime Demo

Mass Fragmentation Tool
(W, M) Quickly examine potential mass fragments by breaking bonds with Mass Fragmentation tool. View QuickTime Demo

Floating Character Map
(W, M) Add special characters from any font instantly to any ChemDraw document. View QuickTime Demo

Floating Periodic Table
(W,M) Element information available at all times with floating periodic table on the desktop. View QuickTime Demo

TLC Plate Tool
(W, M) New tool allows drawn reproduction of TLC plates for inclusion in ChemDraw Documents. View QuickTime Demo

MS Word Numbering
(W) Assign reference numbers to ChemDraw structures that appear in your MS Word documents to use as a reference.

Atom Numbering
(W, M) Add sequential numbering indicators to atoms in a structure.

(W) Through Excel, access and display calculations performed in Chem3D.

(W) Create shopping lists of compounds in Excel for automated chemical purchasing.

(W) Adds GAMESS calculations to Chem3D with a direct client interface (note: user must obtain GAMESS separately).

(W) Display and perform calculations on up to 1,400 chemical structures at a time in Excel. MacOS X Native (M) ChemDraw runs on both Mac OS 9.x and X, with complete support for Apple's latest system.

(W, M) A ChemDraw palette of customizable common biochemistry symbols including membranes, cellular structures and more.

Polymer Draw
(W, M) Represent and manipulate polymers in ChemDraw.

(W) Advanced property parameter including BP, MP and more.

(W) Generate a ChemDraw structure in MS Excel by typing in systematic chemical names for most substances.

Multi-Page Docs
(W, M) Create multiple page documents and posters within a single ChemDraw file.

Structure CleanUp
(W, M) Improves poor drawings.

Online Menu
(W) Draw a structure or model and immediately get online vendor information ChemACX.Com with the click of a button.

(W, M) Identifies stereocenters using Cahn-Ingold Prelog rules.

(W) Search on your computer or network for chemical structures in Word, Excel, Powerpoint, ChemDraw, ISIS files and more, and browse, search, refine, or export your hit list to any destination.

(W) ChemSAR is a Chem3D Windows add-in for MS Excel with descriptive statistics and plots for structure-activity relationships.

(W, M) CLogP property server provides the latest methodology for calculationg n-octanol/water partition coefficients.

(W) Use ChemFinder for MS Excel to build combinatorial libraries with embedded ChemDraw structures.

Gaussian Client
(W) Adds Gaussian 98W calculations to Chem3D with a direct client interface (note: Gaussian 98W required).

(W, M) Fujitsuís MOPAC 2000, available now through Chem3Dís easy graphical interface. Calculate transition state geometries and physical properties using AM1, PM3, MNDO, MINDO/3, and new MINDO/d.

(W, M) Publication-quality EPS glassware art for use within your ChemDraw documents.

(W, M) Enables you to import JCAMP and SPC spectral data files into ChemDraw.

(W, M) Computes physical properties such as LogP, BP, MP and more.

Databases Included (Windows Only)

ChemINDEX 5.5 CD-ROM (W) Small molecule data from the Web and the NCI- over 180,000 compounds.

ChemMSDX 5.0 CD-ROM (W) Over 7,000 material safety datasheets for commonly used laboratory chemicals

ChemRXN 5.5 CD-ROM (W) Includes ChemSelect from InfoChem, GmbH and a sample from ISI's ChemPrep- totaling 29,000 organic reactions

The Merck Index 13th CD-ROM Edition (W) An encyclopedia of chemicals, drugs and biologicals with over 10,000 monographs on single substances or groups of related compounds.

ChemACX 7.0 CD-ROM (W) 300 catalogs from leading chemical suppliers, including Sigma-Aldrich, Fisher, Acros, Alfa Aesar, Lancaster and TCI America, providing rapid ordering information for over 450,000 products.

ChemACX-SC 7.0 CD-ROM (W) A collection of fully searchable catalogs from leading screening compound suppliers.

ChemACX Ultra 8.0 DVD Edition (W) 3 Databases on 1 DVD: ChemACX 8.0 - Over 330 catalogs from leading chemical suppliers in ChemACX, including Sigma-Aldrich, Fisher, Acros, Alfa Aesar, Lancaster and TCI America, providing rapid ordering information for over 500,000 products.

ChemSCX 8.0 - A collection of fully searchable catalogs from leading screening compound suppliers. ChemMSDX 8.0 - Over 20,000 material safety data sheets for commonly used laboratory chemicals.

ChemINDEX Ultra 8.0 DVD Edition (W) 4 Databases on 1 DVD: ChemINDEX 8.0 - Small molecule physical property data on over 70,000 compounds. ChemRXN 8.0 - Organic reaction databases include ChemSelect from Infochem GmbH and a selection from ISI's ChemPrep, for a total of over 29,000 reactions. NCI Database - Over 200,000 compounds with anti-cancer drug dose-response data. AIDS Database - NCI compiled database for AIDS anti-viral compounds.


©2003 CambridgeSoft Corporation.