Unity's state of the art, conformationally flexible 3D search rapidly finds molecules that can satisfy queries regardless of the conformation stored in a commercial or corporate database. Within ChemEnlighten 's browser, compound lists can be sketched, imported, or obtained from database searches. Property data can be calculated or imported, and subsets of compounds can be created using selection and analysis tools. ChemEnlighten 's web-based tools give all members of the project team instant access to information and allow communication of structures, data, and results with others in a project group. By enumerating all of the geometrically feasible stereoisomers of compounds in a database, StereoPlex facilitates 3D searches for compounds that satisfy pharmacophore or receptor constraints.
Commercial databases are sources of chemical structures and physical and biological properties.
The data are used in phamacophore elucidation, lead determination, and QSAR studies. Inc. All rights reserved.