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Modgraph Consultants

Chemistry, Cheminformatics and Molecular Modeling Software Solutions

September 29, 2010

NMRPredict Version 4.8 Released

Version 4.8 of NMRPredict has been released, including many new features.
pharmacuetical business review


Modgraph Consultants

Modgraph Consultants Ltd. is an international software company specialising in the pharmaceutical industry, offering software solutions in chemistry, cheminformatics and molecular modelling.

We provide "turnkey" software solutions, as well as custom and semi-custom applications to fit your unique needs.

Chemical information and chemical structure representation

We have extensive experience in chemical information and the subtleties of chemical structure representation as well as integration of propriety systems from different suppliers. Our MGChem suite provides unprecedented power for your chemistry information needs, far more than just "cheminformatics".

Chemical information consultancy

Our expertise ranges from a number of years of experience in the fine chemicals / pharmaceutical sector combined with an extensive knowledge of several different chemical information systems, to the highest level of programming in C, C++, Visual Basic, VBScript, JavaScript, Delphi, HTML and DHTML. We also have expertise in developing applications on Microsoft Windows and Unix platforms.

Chemical information systems programming

We specialise in chemical information systems programming. Therefore, if you need your systems modified, brought up to date or totally (re)constructed, contact us for highly competitve solutions. We promise that we can help you solve your chemical information problems.


Modgraph Consultants Ltd
1 Oakland View
+44(0)1438 717 217

Modgraph Consultants, Ltd
1348 Graham Place
Escondido, CA 92129
760 212 9201

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Chemical Supplier Catalogue

A unique cost effective way to access chemical supplier catalogues.

The Modgraph chemical supplier catalogue (CSC) provides an in-house solution for chemical-supplier catalogues. The CSC loader lets you install and manage supplier catalogues with a few clicks Modgraph's state-of-the-art chemical registration technology ensures consistent chemistry amongst suppliers and catalogues Modgraph's Ren provides simple but powerful web-based searching, and is enhanced with reagent-selection and purchase-order assistance…

Cheminformatics Solutions

DayBase - The elegant client solution. Customisable front end to Oracle and DayCart. Create forms to view your data in any way you like, import data from SD, RD or CSV files and within no time you have a true client server solution for your corporate chemical structures with un-rivalled performance.

Medium and large sized chemical, pharmaceutical and biotechnology companies, with multiple divisions and locations, often find that their corporate structure and reaction databases are being built as independent local databases accessible only to a few people. What they really want is for the whole company to be able to access all their corporate structure databases,…

Database Integration

Provides integrated, instant access to many disparate data sources, regardless of where they are located or how they are stored.

Companies now generate more data than ever before. In the pharmaceutical and biotechnology industry this often means chemical, biological and property data being stored in completely separate databases. Instant access to all these disparate data sources, regardless of where they are located or how they are stored, is essential to maintain a competitive advantage. Modgraph:…

Imaging Suite

A suite of programs to generate images of molecular structures in a wide variety of circumstances and formats.

Modgraph provides a suite of programs to generate images of molecular structure in a wide variety of circumstances and formats. You can produce either GIF, JPEG or PNG images You can specify structures as SMILES (with optional coordinates), or as MOL or SD Files You can load structures from files, or you can retrieve structures…

Compound Registration

Far more than "cheminformatics" - Manage your company's knowledge base. Solves the hard problems, such as structural novelty and stereochemical uncertainty, manages your company's registration "workflow" process and business rules.

A chemical registration system is central to any pharmaceutical or biotechnology company. How to define structural novelty and how to handle stereochemical uncertainty, together with the ability to apply unique business rules relating to the representation of chemical structures, and being able to change business rules as your business changes, is what can help give…

NMR Prediction

NMRPredict is the result of over 100 man years of development from three of the world leaders in NMR prediction. The program has established itself as the most accurate and reliable prediction program available.

NMRPredict includes the carbon and x-nuclei prediction program and databases from Professor Wolfgang Robien of the University of Vienna and the proton prediction programs from Professor Ray Abraham of the University of Liverpool and Professor Ernö Pretsch of ETH, Zurich's. Modgraph has taken the programs from these three eminent scientists and combined them into an…

Reaction-Based Libraries

Build and manage libraries using reaction-based specifications, batch-register libraries in the corporate registry system, check for overlap amongst libraries, compare libraries to vendor databases.

Combinatorial chemistry has provided the scientist with exceptionally powerful tools to aid drug discovery. It has also raised many challenges: How can you quickly and easily select which reaction transforms you wish to carry out? How can you see whether your reaction transforms have already been tried by other chemists in your company? In the…

Structure Drawing Control

ISIS/Draw? ChemDraw? MDLDraw? The MCChem ActiveX control lets you continue to use the structure drawing program of your choice. Different chemists in the same organisation can even use different drawing packages with the same backend database or analytical application.

Most chemical, pharmaceutical and biotechnology companies have standardised on a program for drawing chemical structures, typically ISIS/Draw from MDL or ChemDraw from CambridgeSoft. If your company needs to enter chemical structures into a program not developed by these vendors, for example to enter structures into a chemical database or to connect to an analytical application,…
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