SciQSAR 2D
Source: SciVision
SciQSAR 2D provides powerful, 2D molecular descriptors for QSAR/QSPR analysis on compound databases SciQSAR 2D is packed with integrated features
SciQSAR 2D provides powerful, 2D molecular descriptors for QSAR/QSPR analysis on compound databases SciQSAR 2D is packed with integrated features to make over 600 of these powerful descriptors easily accessible, no matter whether you're working with one molecule or thousands!
SciQSAR 2D Features
Molecular Descriptors
- Molecular connectivity
- Molecular shape
- Topological
- Electrotopological (Atom E & H E-States)
- Electrotopological bond types
Reads 2D/3D Structure Input
- Smiles and SLN strings
- ISIS SKC
- Alchemy AL2, Hin, MDL Mol, Mol2, SDF
- Use built-in 2D sketcher
Data Collection
- Menu-driven selection of descriptors
- Automated processing
- Ability to use only pharmacophoric atoms
- Ability to renumber atoms "on-the-fly"
- See descriptor values at-a-glance
- Output selected descriptors to Microsoft Excel
SciVision, 200 Wheeler Road, Burlington, MA 01803. Tel: 781-272-4949; Fax: 781-272-6868.
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