MODGRAPH PRODUCTS:

		Chemical Registration
		Reaction-based Libraries
		DocScan - NEW!
		NMRPredict Version 2
		NMRBenefit
		René
		Chemical Supplier Catalogue
		Daybase
		Database Integration
		Structure Drawing Control
		Imaging Suite
		Barcode Solutions

MGChem Suite - More Details

MGChem is a suite of client-server programs, which allows full representation of the information that you know about a compound. Information on chemical structures is often vague and incomplete – MGChem allows you to store what you know and only what you know. Importantly for chemical registration systems, it also allows you to compare this information with any new entries to the database. MGChem can be tailored to represent your business rules for novelty and structure conventions.

MGChem New Chemical Registration and Information system Tailored to suit your business rules for novelty and structure conventions All chemical classes can be represented Also handles compounds bound to beads or proteins Handles all structural stereochemistry including relative, absolute and unresolvable centres Chemical and Stereochemical uncertainty fully handled

Chemical Classes

MGChem is capable of representing all the usual chemical classes, including organics, inorganics and polymers. Additionally, it can handle compounds bound to other materials, such as beads or proteins. Partially known structures can be stored and will be included in any checks for novelty.

Stereochemistry

This is an area that is poorly supported by many chemical information systems. MGChem handles all standard stereochemistry, including relative and absolute centres as well as unresolvable centres. Stereochemical uncertainty is fully handled. It is no longer a problem storing information like "…it’s a single enantiomer - I don’t know which one, but I do know that it’s different from the last one that I made…". As with all chemical data in MGChem, the information is not only stored, but also used intelligently for validation and novelty determination.

System Architecture

MGChem is based on industry standards for client, server and internetworking. MGChem server runs on Unix systems (IRIX or Solaris) and uses relational database technology from Oracle as well as the chemical information power of Daylight's software tools. Chemical structures may be entered into the system from ISIS/Draw or ChemDraw - certain other drawing tools may also be integrated if required. Communication between client and server is through TCP/IP using the industry standard Berkeley sockets. Clients may run on Unix or Windows NT as native applications. For those who want to run a corporate system on many sites across the world, MGChem’s architecture allows excellent performance anywhere on the network. For those who use public networks, an extra encryption module is available (subject to local government regulations).

Integration

For those who want to move data between MGChem and other systems, integration with major systems is supported. MGChem can import and export MDL SD/MOL/RXN/TGF files and has a full API for the client and the server programs. The MGChem API allows easy creation of customer-specific applications, which may be written by the customer or by Modgraph consultants as well as direct database updates to or from other applications.

Customisation

Few products are ideally suited to a company’s requirements "out of the box". MGChem Suite allows customisation of the client either by the customer or by Modgraph Consultants. The Server may also be customised by construction of customer-specific business rules. Key field definitions are defined externally to the program and may be edited or added to at any time by the customer.

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