ChemBrain XTE

CNET editors' review

Reviewed by: CNET Staff

Select a molecule from a list of thousands or enter your own, and this application will graphically display its structure and give information such as chemical formula and molecular weight. But before you can do that, you ll endure a somewhat lengthy installation process and will likely need the Help files to learn how to use ChemBrain's numerous features. Search for molecules similar to the one you re working with, and get a graphical display of their structures. Add properties to existing molecules to create your own, and keep notes within the program on what you ve done. The program only allows 20 uses in the trial, and interested buyers may wish for more evaluation time before shelling out the hefty $969 registration fee. While obviously not intended for average users, chemists and students are likely to find ChemBrain an invaluable resource.

Publisher's description

From Expertsoft :

ChemBrain is a worldwide chemical database for three-dimensional molecular structures with integrated artificial intelligence that is capable of learning any molecular property. You also can use it as a laboratory notebook. It's extremely simple to input three-dimensional molecules, and is supported by a fast geometry-optimizer. It stores any kind of data for use in artificial neural networks calculations, it learns from stored data for property prediction of as yet unknown molecules, and it features an automatic classification of molecules. The program allows for the mapping of molecules in relation to their structural similarity, allows for an unambiguous fragment search, and enables similarity searches based on various molecular properties. The text-input option enables its use as electronic lab journal and there are special discounts for educational use.

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