English |
ChemInform® | |
Acronyms | |
Infotherm® | |
ChemgaPedia® |
The program package ARTIST (produced by the DDBST GmbH) was developed for the estimation of pure component properties using the most sophisticated methods. It incorporates a large number of different group contribution methods for a multitude of different properties. Using a special coding scheme for molecular structures, ARTIST is able to take into account the chemical neighborhood of the individual groups thus implementing chemical know-how. Special features of some group contribution methods like topological indices and second order group corrections are automatically taken into account. Thus after entering the structure or retrieving it from the large data base included, the tedious task of property estimation can be performed with a single click. To ensure the correctness of the algorithm, the program has already been tested for years during the development of the well known UNIFAC and mod. UNIFAC methods
It has also proven very helpful for years during the compilation of the Dortmund Data Bank (DDB) pure component data bank. Thousands of data points were automatically estimated and compared to experimental data from literature thus eliminating errors in data input and/or the estimation routines. Structures can be stored in 3D and rotated on the screen. To find components with a similar structural element, a powerful substructure search has been implemented. The whole package utilizes a user-friendly Windows graphical user interface. Results can be copied to the clipboard or automatically sent to Microsoft Excel™ for further processing. Whether you are dealing with process simulation, risk assessment, environmental protection or combinatorial chemistry, this is the package of choice for automatic property estimation.
Ambrose, Basarova/Svoboda, Benson, Bondi, Brock, Campbell/Thodos, Chein-Hsiun Tu, Chueh /Swanson, Cordes/ Rarey, Daubert, Devotta/Rao, Gani/Constantinou, Gomez-Nieto/Thodos, Han /Peng, Hearing/Domalski, High, Horvath, Hoshino, Hoshino/Nagahama, Joback, Klincewicz/Reid, Kolbasov, Kuehne, Lakshmi, Le Bas, Luria/Benson, Lydersen, Ma/Zhao, Mavrovouniotis, Mc Cann/Danner, Meissner, Miller, Missenard, Motoc/Balaban, Nannoolal/Rarey, Nagvekar /Daubert, Orrick/Erbar, Reichenberg, Riedel, Ruzicka/Domalski, Sastri/Mohanty/Rao, Sastri/Rao, Schroeder, Seaton, Shaw, Shebeco, Skubla, Somayajulu, Souders, Stein/ Brown, Tassios, Tatevskii, Thomas, Tsibanogiannis/ Kalospiros /Tassios, Tu/Liu, Tyn/Callus, van Velzen, ....
System Requirements: Windows 2000/XP/Vista