Molecular Modeling, Physical Property Estimation, 3D Chemical Structure, Mixture Editor, Structural Searching, QSAR and Thermodynamics

Client/Server Chemical Modeling and Database System

The Enterprise version Includes all of the features of Molecular Modeling Pro Plus (MMP+) and also allows you to create and maintain enterprise-wide SQL Server Chemical Databases. MMP+ Enterprise has full featured database creation, editing and security functions.

Add over 100 calculated molecular properties to databases in batch mode. We can do this for your existing Chemical database too.

Create, display and use beautiful 3-D images and cut and paste them to Word Processors or create JPEG files. Includes wire frame, ball and stick, dot surfaces, molecular outlines and space filling models. We can convert 2-D structures to 3-D structures for an entire database batch-wise. Comes with an MM2 minimizer and works with MOPAC (also included.)

Automatically generate web pages including structures and database tables.

The program works when not connected to the intranet (Internet or an intranet?) (good feature for mobile users). Supports ACCESS, SD Files, XML and text depiction of databases as well as Client/Server platforms

Includes structure-activity statistical analysis tools such as PLS, and graphing and charting features.

Comes with a database of about 5,000 organic molecules (solvents, pharmaceuticals, surfactants, amino acids, pesticides).

Custom features needed? Ask. Contract programming available.

Support Contracts and On-Site Installation Available!

Molecular Modeling Database features:

The program has been tested with the following database platforms and file formats: Microsoft SQL Server, Microsoft ACCESS, XML, tab delimited text, MDL SD Files, Molecular Analysis Pro csv files. Supports input and output to these formats.
Database creation: We will create the initial database to your specifications and provide you with an SQL script to create additional databases. A starter database of 5,000 molecules comes pre-installed Your users, if authorized, can then create new records using the program. Editing features include structural drawing, automated property calculations, and the ability to add/change/delete text and numeric fields.
If you are a CISPro (is this CISPro Client/Server only?) user, the program has many built-in connections to this program that enable you to more fully exploit both solutions.
Security features: Besides passwords needed to access the database, an additional key word read by the program controls how the program is used. Modes include Read only, Write only to records created by the user, Limited access to specific Tables and complete administrative rights.
Data Analysis: 2-D and 3-D plotting, Multiple regression including brute force (correlate all variables, including families of transformations, using multiple regression), Stepwise regression, and Partial least squares regression (PLS). Find the relationship between fields stored in the database with these tools.

For more information on this product contact us at info@chemsw.com or 707-864-0845

Molecular Modeling Pro™ Plus Enterprise

Client/Server Chemical Modeling and Database System